2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one

C9H8N2O2 — CID 16770106

IUPAC2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CO)nc2ccccn12
InChIInChI=1S/C9H8N2O2/c12-6-7-5-9(13)11-4-2-1-3-8(11)10-7/h1-5,12H,6H2
InChIKeyMRQCHCNWYBFWPD-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.19
Rot. Bonds1

About 2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one

2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 16770106) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID16770106
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CO)nc2ccccn12
InChIInChI=1S/C9H8N2O2/c12-6-7-5-9(13)11-4-2-1-3-8(11)10-7/h1-5,12H,6H2
InChIKeyMRQCHCNWYBFWPD-UHFFFAOYSA-N
XLogP0.19
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one (CID 16770106) is 2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CO)nc2ccccn12.
What is the InChIKey of 2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MRQCHCNWYBFWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-6-7-5-9(13)11-4-2-1-3-8(11)10-7/h1-5,12H,6H2.
What are the key properties of 2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 176.17 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 16770106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).