8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one

C16H23N3O2 — CID 121384926

IUPAC8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1cnc2c(O)c(CN(CC)CC)ccn2c1=O
InChIInChI=1S/C16H23N3O2/c1-4-7-12-10-17-15-14(20)13(11-18(5-2)6-3)8-9-19(15)16(12)21/h8-10,20H,4-7,11H2,1-3H3
InChIKeyKGRQTAFSLNKFAQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.19
Rot. Bonds6

About 8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one

8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 121384926) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
PubChem CID121384926
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1cnc2c(O)c(CN(CC)CC)ccn2c1=O
InChIInChI=1S/C16H23N3O2/c1-4-7-12-10-17-15-14(20)13(11-18(5-2)6-3)8-9-19(15)16(12)21/h8-10,20H,4-7,11H2,1-3H3
InChIKeyKGRQTAFSLNKFAQ-UHFFFAOYSA-N
XLogP2.19
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one (CID 121384926) is 8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one is CCCc1cnc2c(O)c(CN(CC)CC)ccn2c1=O.
What is the InChIKey of 8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KGRQTAFSLNKFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-7-12-10-17-15-14(20)13(11-18(5-2)6-3)8-9-19(15)16(12)21/h8-10,20H,4-7,11H2,1-3H3.
What are the key properties of 8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylaminomethyl)-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121384926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).