2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

C13H15ClN2O2 — CID 165477495

IUPAC2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCc1ccn2c(=O)c(C(C)C)c(Cl)nc2c1
InChIInChI=1S/C13H15ClN2O2/c1-8(2)11-12(14)15-10-6-9(7-18-3)4-5-16(10)13(11)17/h4-6,8H,7H2,1-3H3
InChIKeyHTUSTYZEYSMQDV-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.62
Rot. Bonds3

About 2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 165477495) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID165477495
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCc1ccn2c(=O)c(C(C)C)c(Cl)nc2c1
InChIInChI=1S/C13H15ClN2O2/c1-8(2)11-12(14)15-10-6-9(7-18-3)4-5-16(10)13(11)17/h4-6,8H,7H2,1-3H3
InChIKeyHTUSTYZEYSMQDV-UHFFFAOYSA-N
XLogP2.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 165477495) is 2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is COCc1ccn2c(=O)c(C(C)C)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HTUSTYZEYSMQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8(2)11-12(14)15-10-6-9(7-18-3)4-5-16(10)13(11)17/h4-6,8H,7H2,1-3H3.
What are the key properties of 2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 266.73 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(methoxymethyl)-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 165477495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).