1-(6-methylpyrimidin-4-yl)ethanone

1-(6-methylpyrimidin-4-yl)ethanone

CAS: 67073-96-5

Formula: C7H8N2O

SMILES: CC(=O)C1=NC=NC(C)=C1

IUPAC: 1-(6-methylpyrimidin-4-yl)ethan-1-one

InChI: InChI=1S/C7H8N2O/c1-5-3-7(6(2)10)9-4-8-5/h3-4H,1-2H3

Composition: C (61.75%), H (5.92%), N (20.58%), O (11.75%)

Molar Mass: 136.154

Atom Count: 18

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	136.063662886
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HGCKALAOPJUYBA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.34
Topological Polar Surface Area	42.85
Polarizability	14.05
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97.6%	<7 Days	67073-96-5		$16.83-$1,114.52$16.83$67.32$336.60$673.20$1,114.52