(2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide

C15H24N4O — CID 95553743

IUPAC(2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide
SMILESCCC[C@H](Nc1nccc(C2CCCC2)n1)C(=O)NC
InChIInChI=1S/C15H24N4O/c1-3-6-13(14(20)16-2)19-15-17-10-9-12(18-15)11-7-4-5-8-11/h9-11,13H,3-8H2,1-2H3,(H,16,20)(H,17,18,19)/t13-/m0/s1
InChIKeyYTQREAVTNXCBMM-ZDUSSCGKSA-N
MW276.38 g/mol
LogP2.46
Rot. Bonds6

About (2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide

(2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide (PubChem CID 95553743) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide
PubChem CID95553743
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide
SMILESCCC[C@H](Nc1nccc(C2CCCC2)n1)C(=O)NC
InChIInChI=1S/C15H24N4O/c1-3-6-13(14(20)16-2)19-15-17-10-9-12(18-15)11-7-4-5-8-11/h9-11,13H,3-8H2,1-2H3,(H,16,20)(H,17,18,19)/t13-/m0/s1
InChIKeyYTQREAVTNXCBMM-ZDUSSCGKSA-N
XLogP2.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-(1H-imidazol-1-yl)-6-octylpyrimidin-4-ylamino)-N-(3-ethoxypropyl)-4-methylpentanamide
CID 44410899
(2S)-N-(3-ethoxypropyl)-2-(6-hexyl-2-(1H-imidazol-1-yl)pyrimidin-4-ylamino)-4-methylpentanamide
CID 44410901
N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide
CID 56867847
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588
1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
CID 56870713
1-(Cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 56901227
(3S,4S)-N-methyl-1-(2-methylpropanoyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92553173
(3S,4S)-N-methyl-1-propanoyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92585512
4-(2-Methylpyrimidin-4-yl)pyrrolidin-2-one
CID 115529931
2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide
CID 56869498
3-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]amino}piperidin-2-one
CID 56866993
1-Methyl-5-({[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}methyl)pyrrolidin-2-one
CID 56867761

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide?
The IUPAC name of (2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide (CID 95553743) is (2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide.
What is the SMILES notation for (2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide?
The canonical SMILES for (2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide is CCC[C@H](Nc1nccc(C2CCCC2)n1)C(=O)NC.
What is the InChIKey of (2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide?
The InChIKey is YTQREAVTNXCBMM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-6-13(14(20)16-2)19-15-17-10-9-12(18-15)11-7-4-5-8-11/h9-11,13H,3-8H2,1-2H3,(H,16,20)(H,17,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide?
(2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide has a molecular weight of 276.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide is sourced from PubChem (CID 95553743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).