6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C13H19N3O — CID 115039712

IUPAC6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCc2nc(C3CCNC3)cc(=O)n21
InChIInChI=1S/C13H19N3O/c1-9-3-2-4-12-15-11(7-13(17)16(9)12)10-5-6-14-8-10/h7,9-10,14H,2-6,8H2,1H3
InChIKeyIGCPWQWRFPDLJO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.22
Rot. Bonds1

About 6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115039712) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID115039712
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCc2nc(C3CCNC3)cc(=O)n21
InChIInChI=1S/C13H19N3O/c1-9-3-2-4-12-15-11(7-13(17)16(9)12)10-5-6-14-8-10/h7,9-10,14H,2-6,8H2,1H3
InChIKeyIGCPWQWRFPDLJO-UHFFFAOYSA-N
XLogP1.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(piperidin-4-yl)pyrimidin-4-ol
CID 135876445
2-(3-methylbutyl)-6-(1-methylpiperidin-3-yl)pyrimidin-4(3H)-one
CID 135876481
N-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide
CID 126756559
N-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide
CID 135159548
2-Methyl-6-(piperidin-3-yl)pyrimidin-4-ol
CID 136072571
2-methyl-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136483017
2-[1-amino-3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]-4-piperidin-4-yl-1H-pyrimidin-6-one
CID 173814725
9-Methyl-2-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 12339722
8-Amino-2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83878484
7-Amino-2-cyclopropyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83882531
8-Amino-2-cyclopropyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83882532
9-Amino-2-cyclopropyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83882533

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 115039712) is 6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CCCc2nc(C3CCNC3)cc(=O)n21.
What is the InChIKey of 6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IGCPWQWRFPDLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-3-2-4-12-15-11(7-13(17)16(9)12)10-5-6-14-8-10/h7,9-10,14H,2-6,8H2,1H3.
What are the key properties of 6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 233.31 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115039712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).