8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C14H17N3O — CID 115054694

IUPAC8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CC3CCNC3)nc2c1
InChIInChI=1S/C14H17N3O/c1-10-3-5-17-13(6-10)16-12(8-14(17)18)7-11-2-4-15-9-11/h3,5-6,8,11,15H,2,4,7,9H2,1H3
InChIKeyPQKZXJDRFCEMTR-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.15
Rot. Bonds2

About 8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054694) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054694
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CC3CCNC3)nc2c1
InChIInChI=1S/C14H17N3O/c1-10-3-5-17-13(6-10)16-12(8-14(17)18)7-11-2-4-15-9-11/h3,5-6,8,11,15H,2,4,7,9H2,1H3
InChIKeyPQKZXJDRFCEMTR-UHFFFAOYSA-N
XLogP1.15
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054699
7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645
8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 63643365
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 60917102
8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 154920478
2-[[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 154892433
2-(piperidin-4-ylmethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054700
7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054647
7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054678
8-methyl-2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104975286
2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 64980823
(3aS,7aR)-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98322562

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054694) is 8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(CC3CCNC3)nc2c1.
What is the InChIKey of 8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PQKZXJDRFCEMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-3-5-17-13(6-10)16-12(8-14(17)18)7-11-2-4-15-9-11/h3,5-6,8,11,15H,2,4,7,9H2,1H3.
What are the key properties of 8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 243.31 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).