7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one

C12H14ClN3O2 — CID 121384957

IUPAC7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCNCc1cc(=O)n2cc(Cl)cc(O)c2n1
InChIInChI=1S/C12H14ClN3O2/c1-2-3-14-6-9-5-11(18)16-7-8(13)4-10(17)12(16)15-9/h4-5,7,14,17H,2-3,6H2,1H3
InChIKeyRWRPUFSBBUYTOV-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.55
Rot. Bonds4

About 7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one

7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 121384957) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID121384957
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCNCc1cc(=O)n2cc(Cl)cc(O)c2n1
InChIInChI=1S/C12H14ClN3O2/c1-2-3-14-6-9-5-11(18)16-7-8(13)4-10(17)12(16)15-9/h4-5,7,14,17H,2-3,6H2,1H3
InChIKeyRWRPUFSBBUYTOV-UHFFFAOYSA-N
XLogP1.55
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one (CID 121384957) is 7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one is CCCNCc1cc(=O)n2cc(Cl)cc(O)c2n1.
What is the InChIKey of 7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RWRPUFSBBUYTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-2-3-14-6-9-5-11(18)16-7-8(13)4-10(17)12(16)15-9/h4-5,7,14,17H,2-3,6H2,1H3.
What are the key properties of 7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one?
7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 267.72 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121384957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).