2,4-diamino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

2,4-diamino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

CAS: 6974-25-0

Formula: C9H12N4O2

SMILES: NC1=NC(N)=C2CC(CCC2=N1)C(O)=O

IUPAC: 2,4-diamino-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

InChI: InChI=1/C9H12N4O2/c10-7-5-3-4(8(14)15)1-2-6(5)12-9(11)13-7/h4H,1-3H2,(H,14,15)(H4,10,11,12,13)

Composition: C (51.92%), H (5.81%), N (26.91%), O (15.37%)

Molar Mass: 208.221

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	208.096025642
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	GDKLVDMQUXYRHW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.68
Topological Polar Surface Area	115.12
Polarizability	19.89
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	6974-25-0		$1,860.00-$2,100.00$1,860.00$2,100.00