2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one

C13H17N5O — CID 164635915

IUPAC2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC[C@H](c3ccn[nH]3)C2)cc(=O)[nH]1
InChIInChI=1S/C13H17N5O/c1-9-15-12(7-13(19)16-9)18-6-2-3-10(8-18)11-4-5-14-17-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,14,17)(H,15,16,19)/t10-/m0/s1
InChIKeyHLLNWUYGGGXNIF-JTQLQIEISA-N
MW259.31 g/mol
LogP1.19
Rot. Bonds2

About 2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one

2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 164635915) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID164635915
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC[C@H](c3ccn[nH]3)C2)cc(=O)[nH]1
InChIInChI=1S/C13H17N5O/c1-9-15-12(7-13(19)16-9)18-6-2-3-10(8-18)11-4-5-14-17-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,14,17)(H,15,16,19)/t10-/m0/s1
InChIKeyHLLNWUYGGGXNIF-JTQLQIEISA-N
XLogP1.19
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 164635915) is 2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one is Cc1nc(N2CCC[C@H](c3ccn[nH]3)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is HLLNWUYGGGXNIF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-15-12(7-13(19)16-9)18-6-2-3-10(8-18)11-4-5-14-17-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,14,17)(H,15,16,19)/t10-/m0/s1.
What are the key properties of 2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 164635915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).