2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide

C17H22N6O — CID 57472084

IUPAC2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2nc(NC3CCCC3N)ncc2C(N)=O)c1
InChIInChI=1S/C17H22N6O/c1-10-4-2-5-11(8-10)21-16-12(15(19)24)9-20-17(23-16)22-14-7-3-6-13(14)18/h2,4-5,8-9,13-14H,3,6-7,18H2,1H3,(H2,19,24)(H2,20,21,22,23)
InChIKeyJHSOSNYCYWIFKB-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.92
Rot. Bonds5

About 2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide

2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide (PubChem CID 57472084) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
PubChem CID57472084
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2nc(NC3CCCC3N)ncc2C(N)=O)c1
InChIInChI=1S/C17H22N6O/c1-10-4-2-5-11(8-10)21-16-12(15(19)24)9-20-17(23-16)22-14-7-3-6-13(14)18/h2,4-5,8-9,13-14H,3,6-7,18H2,1H3,(H2,19,24)(H2,20,21,22,23)
InChIKeyJHSOSNYCYWIFKB-UHFFFAOYSA-N
XLogP1.92
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
CID 123987334
2-[[(1R,2S)-2-amino-5,5-difluorocyclohexyl]amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 56679797
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide
CID 72551286
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(oxan-4-yl)anilino]pyrimidine-5-carboxamide
CID 57471964
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 163538424
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 56599745
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-methoxy-3-methylanilino)pyrimidine-5-carboxamide
CID 59199700
[(Z)-3-amino-2-[3-[[2-[[(1R,2S)-2-aminocyclohexyl]amino]-5-carbamoylpyrimidin-4-yl]amino]phenyl]prop-2-enylidene]azanium
CID 143890623
4-(3-methylanilino)-2-[[(3S)-piperidin-3-yl]amino]pyrimidine-5-carboxamide
CID 56671791
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(1,3-oxazol-4-yl)anilino]pyrimidine-5-carboxamide
CID 46184137
2-[[(1R,2S,3S)-2-amino-3-methylcyclohexyl]amino]-4-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 59199787
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-fluoronaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 57472000

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide (CID 57472084) is 2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide is Cc1cccc(Nc2nc(NC3CCCC3N)ncc2C(N)=O)c1.
What is the InChIKey of 2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is JHSOSNYCYWIFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-10-4-2-5-11(8-10)21-16-12(15(19)24)9-20-17(23-16)22-14-7-3-6-13(14)18/h2,4-5,8-9,13-14H,3,6-7,18H2,1H3,(H2,19,24)(H2,20,21,22,23).
What are the key properties of 2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide?
2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 57472084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).