4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one

C17H23N5O2 — CID 95188207

IUPAC4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C17H23N5O2/c1-11-14(12(2)20-17(24)19-11)5-6-16(23)22-9-3-4-13(10-22)15-7-8-18-21-15/h7-8,13H,3-6,9-10H2,1-2H3,(H,18,21)(H,19,20,24)/t13-/m1/s1
InChIKeyOAFYATQSNZRCOU-CYBMUJFWSA-N
MW329.40 g/mol
LogP1.45
Rot. Bonds4

About 4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one

4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one (PubChem CID 95188207) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one
PubChem CID95188207
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C17H23N5O2/c1-11-14(12(2)20-17(24)19-11)5-6-16(23)22-9-3-4-13(10-22)15-7-8-18-21-15/h7-8,13H,3-6,9-10H2,1-2H3,(H,18,21)(H,19,20,24)/t13-/m1/s1
InChIKeyOAFYATQSNZRCOU-CYBMUJFWSA-N
XLogP1.45
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95845538
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
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5-[3-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one
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3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768717
3-(1-methylpyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
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3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110259223
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125012670
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
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4,6-dimethyl-5-[3-oxo-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-1H-pyrimidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one (CID 95188207) is 4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[C@@H](c2ccn[nH]2)C1.
What is the InChIKey of 4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one?
The InChIKey is OAFYATQSNZRCOU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-14(12(2)20-17(24)19-11)5-6-16(23)22-9-3-4-13(10-22)15-7-8-18-21-15/h7-8,13H,3-6,9-10H2,1-2H3,(H,18,21)(H,19,20,24)/t13-/m1/s1.
What are the key properties of 4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one?
4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-[3-oxo-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 95188207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).