3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide

C14H22N4O — CID 56870578

IUPAC3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CNc1nccc(C2CCCC2)n1
InChIInChI=1S/C14H22N4O/c1-10(13(19)15-2)9-17-14-16-8-7-12(18-14)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyUUKQPBDFJWUTPP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.93
Rot. Bonds5

About 3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide

3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide (PubChem CID 56870578) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide
PubChem CID56870578
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CNc1nccc(C2CCCC2)n1
InChIInChI=1S/C14H22N4O/c1-10(13(19)15-2)9-17-14-16-8-7-12(18-14)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyUUKQPBDFJWUTPP-UHFFFAOYSA-N
XLogP1.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-methylpentanamide
CID 95553743
2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol
CID 56879923
(1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol
CID 95559150
tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate
CID 103278680
4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine
CID 56869794
N-[4-[(4-cyclopropylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 126825101
N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide
CID 171593679
N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine
CID 63318874
2-[[(4-cyclopentylpyrimidin-2-yl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70764268
4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine
CID 95402847
2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid
CID 116899904
methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate
CID 116901356

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide (CID 56870578) is 3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide is CNC(=O)C(C)CNc1nccc(C2CCCC2)n1.
What is the InChIKey of 3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide?
The InChIKey is UUKQPBDFJWUTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(13(19)15-2)9-17-14-16-8-7-12(18-14)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide?
3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide has a molecular weight of 262.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide is sourced from PubChem (CID 56870578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).