3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

C13H19N3O — CID 92595743

IUPAC3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCc1c([C@@H]2CCCNC2)n2c(nc1=O)CCC2
InChIInChI=1S/C13H19N3O/c1-9-12(10-4-2-6-14-8-10)16-7-3-5-11(16)15-13(9)17/h10,14H,2-8H2,1H3/t10-/m1/s1
InChIKeyANNYKOYTXWFPAD-SNVBAGLBSA-N
MW233.31 g/mol
LogP0.96
Rot. Bonds1

About 3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 92595743) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID92595743
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCc1c([C@@H]2CCCNC2)n2c(nc1=O)CCC2
InChIInChI=1S/C13H19N3O/c1-9-12(10-4-2-6-14-8-10)16-7-3-5-11(16)15-13(9)17/h10,14H,2-8H2,1H3/t10-/m1/s1
InChIKeyANNYKOYTXWFPAD-SNVBAGLBSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one with MolForge

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Related Compounds

4-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 66510180
2-(3-methylbutyl)-6-(1-methylpiperidin-3-yl)pyrimidin-4(3H)-one
CID 135876481
N-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide
CID 134403277
6-Methyl-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-dien-8-one
CID 13949481
2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 82105309
3-(2-Aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 84687005
3-(2-Aminoethyl)-2,7-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 84687007
3-methyl-4-[(3S)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92595745
4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110226348
3-methyl-4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110226349
2-Pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 115031498
9-Methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 115039705

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The IUPAC name of 3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 92595743) is 3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The canonical SMILES for 3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is Cc1c([C@@H]2CCCNC2)n2c(nc1=O)CCC2.
What is the InChIKey of 3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is ANNYKOYTXWFPAD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-12(10-4-2-6-14-8-10)16-7-3-5-11(16)15-13(9)17/h10,14H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of 3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 92595743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).