1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione

C16H21N5O3 — CID 127247346

IUPAC1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
SMILESCc1cn[nH]c1C1CCCCN1C(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C16H21N5O3/c1-10-9-17-18-14(10)11-6-4-5-7-21(11)15(23)12-8-13(22)20(3)16(24)19(12)2/h8-9,11H,4-7H2,1-3H3,(H,17,18)
InChIKeyPKIHPIQBIVEZMG-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.48
Rot. Bonds2

About 1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione (PubChem CID 127247346) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
PubChem CID127247346
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
SMILESCc1cn[nH]c1C1CCCCN1C(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C16H21N5O3/c1-10-9-17-18-14(10)11-6-4-5-7-21(11)15(23)12-8-13(22)20(3)16(24)19(12)2/h8-9,11H,4-7H2,1-3H3,(H,17,18)
InChIKeyPKIHPIQBIVEZMG-UHFFFAOYSA-N
XLogP0.48
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127247295
1,3-dimethyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 97281647
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110270767
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 175652614
(1-methylpyrazol-3-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824417
(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824584
1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 125015096
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124941822
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 127247312
1-[2-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124974089
6-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 110120996
6-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 124985604

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione (CID 127247346) is 1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione is Cc1cn[nH]c1C1CCCCN1C(=O)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?
The InChIKey is PKIHPIQBIVEZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10-9-17-18-14(10)11-6-4-5-7-21(11)15(23)12-8-13(22)20(3)16(24)19(12)2/h8-9,11H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione has a molecular weight of 331.38 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione is sourced from PubChem (CID 127247346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).