2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide

C15H22N4O — CID 95805931

IUPAC2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc([C@@H]2CCCN2C2CCCC2)ncc1C(N)=O
InChIInChI=1S/C15H22N4O/c1-10-12(14(16)20)9-17-15(18-10)13-7-4-8-19(13)11-5-2-3-6-11/h9,11,13H,2-8H2,1H3,(H2,16,20)/t13-/m0/s1
InChIKeyASPPUUGKUOEKJX-ZDUSSCGKSA-N
MW274.37 g/mol
LogP1.96
Rot. Bonds3

About 2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide

2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 95805931) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID95805931
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc([C@@H]2CCCN2C2CCCC2)ncc1C(N)=O
InChIInChI=1S/C15H22N4O/c1-10-12(14(16)20)9-17-15(18-10)13-7-4-8-19(13)11-5-2-3-6-11/h9,11,13H,2-8H2,1H3,(H2,16,20)/t13-/m0/s1
InChIKeyASPPUUGKUOEKJX-ZDUSSCGKSA-N
XLogP1.96
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110084529
2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95830196
2-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110248981
2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639674
4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid
CID 165448957
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247544
2-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247543
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95805927
2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110084635
N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636501
2-[1-(2-methoxyacetyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 110088774
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide (CID 95805931) is 2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide is Cc1nc([C@@H]2CCCN2C2CCCC2)ncc1C(N)=O.
What is the InChIKey of 2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is ASPPUUGKUOEKJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-12(14(16)20)9-17-15(18-10)13-7-4-8-19(13)11-5-2-3-6-11/h9,11,13H,2-8H2,1H3,(H2,16,20)/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide?
2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 95805931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).