2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide

C14H23N5O — CID 71242271

IUPAC2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1nc(NC2CCCCC2)ncc1C(N)=O
InChIInChI=1S/C14H23N5O/c1-9(2)17-13-11(12(15)20)8-16-14(19-13)18-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyKOMSPQZTDOYMJR-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.14
Rot. Bonds5

About 2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide

2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 71242271) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID71242271
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1nc(NC2CCCCC2)ncc1C(N)=O
InChIInChI=1S/C14H23N5O/c1-9(2)17-13-11(12(15)20)8-16-14(19-13)18-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyKOMSPQZTDOYMJR-UHFFFAOYSA-N
XLogP2.14
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237412
4-[[(1R)-1-cyclobutylethyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237417
2-[(4-methoxycyclohexyl)amino]-4-[[(2S)-3-methylbutan-2-yl]amino]pyrimidine-5-carboxamide
CID 71237470
2-(2-aminopropylamino)-4-(cyclohexylamino)pyrimidine-5-carboxamide
CID 70981953
4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide
CID 71237990
4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237178
4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237177
2-[(4,4-difluorocyclohexyl)amino]-4-[[(3S)-3-hydroxy-3-methylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 71242345
4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 86065477
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316
4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237054

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 71242271) is 2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide is CC(C)Nc1nc(NC2CCCCC2)ncc1C(N)=O.
What is the InChIKey of 2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is KOMSPQZTDOYMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-9(2)17-13-11(12(15)20)8-16-14(19-13)18-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide?
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 71242271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).