2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one

C19H22N4O — CID 160888674

IUPAC2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(Cc2nc(C)c3cccc(C)c3n2)[nH]c1=O
InChIInChI=1S/C19H22N4O/c1-5-7-15-13(4)21-17(23-19(15)24)10-16-20-12(3)14-9-6-8-11(2)18(14)22-16/h6,8-9H,5,7,10H2,1-4H3,(H,21,23,24)
InChIKeySNYXMHREKYGXFW-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.18
Rot. Bonds4

About 2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one

2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one (PubChem CID 160888674) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one
PubChem CID160888674
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(Cc2nc(C)c3cccc(C)c3n2)[nH]c1=O
InChIInChI=1S/C19H22N4O/c1-5-7-15-13(4)21-17(23-19(15)24)10-16-20-12(3)14-9-6-8-11(2)18(14)22-16/h6,8-9H,5,7,10H2,1-4H3,(H,21,23,24)
InChIKeySNYXMHREKYGXFW-UHFFFAOYSA-N
XLogP3.18
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one (CID 160888674) is 2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one is CCCc1c(C)nc(Cc2nc(C)c3cccc(C)c3n2)[nH]c1=O.
What is the InChIKey of 2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The InChIKey is SNYXMHREKYGXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-5-7-15-13(4)21-17(23-19(15)24)10-16-20-12(3)14-9-6-8-11(2)18(14)22-16/h6,8-9H,5,7,10H2,1-4H3,(H,21,23,24).
What are the key properties of 2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one has a molecular weight of 322.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,8-dimethylquinazolin-2-yl)methyl]-4-methyl-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 160888674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).