6-chloro-N4-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine

6-chloro-N4-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine

CAS: 339016-02-3

Formula: C12H13ClN4O2

SMILES: COC1=C(OC)C=C(NC2=CC(Cl)=NC(N)=N2)C=C1

IUPAC: 6-chloro-N4-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine

InChI: InChI=1S/C12H13ClN4O2/c1-18-8-4-3-7(5-9(8)19-2)15-11-6-10(13)16-12(14)17-11/h3-6H,1-2H3,(H3,14,15,16,17)

Composition: C (51.35%), H (4.67%), Cl (12.63%), N (19.96%), O (11.40%)

Molar Mass: 280.71

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.0727034
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	LKMJQPVYCUMUSP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.96
Topological Polar Surface Area	82.29
Polarizability	27.44
Ring Count	2
Rotatable Bond Count	4

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90%	<2 Days	339016-02-3		$51.35-$524.40$51.35$63.37$86.31$524.40