2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one

C14H18N2O — CID 20583161

IUPAC2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(C)c(C)c(C)c(C)n2c(=O)c1C
InChIInChI=1S/C14H18N2O/c1-7-8(2)12(6)16-13(9(7)3)15-11(5)10(4)14(16)17/h1-6H3
InChIKeyRHEZCHCCOFZBRN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.55
Rot. Bonds

About 2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one

2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 20583161) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID20583161
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(C)c(C)c(C)c(C)n2c(=O)c1C
InChIInChI=1S/C14H18N2O/c1-7-8(2)12(6)16-13(9(7)3)15-11(5)10(4)14(16)17/h1-6H3
InChIKeyRHEZCHCCOFZBRN-UHFFFAOYSA-N
XLogP2.55
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one (CID 20583161) is 2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2c(C)c(C)c(C)c(C)n2c(=O)c1C.
What is the InChIKey of 2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RHEZCHCCOFZBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-7-8(2)12(6)16-13(9(7)3)15-11(5)10(4)14(16)17/h1-6H3.
What are the key properties of 2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one?
2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 230.31 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 20583161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).