4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide

C17H27N5O2 — CID 71237462

IUPAC4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide
SMILESCC1(Nc2ncc(C(N)=O)c(NC3CCC(C)(C)C(O)C3)n2)CC1
InChIInChI=1S/C17H27N5O2/c1-16(2)5-4-10(8-12(16)23)20-14-11(13(18)24)9-19-15(21-14)22-17(3)6-7-17/h9-10,12,23H,4-8H2,1-3H3,(H2,18,24)(H2,19,20,21,22)
InChIKeyLNTGUMPMKGTAHQ-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.89
Rot. Bonds5

About 4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide

4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide (PubChem CID 71237462) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide
PubChem CID71237462
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide
SMILESCC1(Nc2ncc(C(N)=O)c(NC3CCC(C)(C)C(O)C3)n2)CC1
InChIInChI=1S/C17H27N5O2/c1-16(2)5-4-10(8-12(16)23)20-14-11(13(18)24)9-19-15(21-14)22-17(3)6-7-17/h9-10,12,23H,4-8H2,1-3H3,(H2,18,24)(H2,19,20,21,22)
InChIKeyLNTGUMPMKGTAHQ-UHFFFAOYSA-N
XLogP1.89
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 123245830
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(1-methylcyclopentyl)amino]pyrimidine-5-carboxamide
CID 71237293
4-[(3-hydroxycyclohexyl)amino]-2-[(4-methyloxan-4-yl)amino]pyrimidine-5-carboxamide
CID 78044446
2-[(4-ethyl-4-fluoro-1-methylcyclohexyl)amino]-4-[[(3S)-3-hydroxy-3-methylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 118376122
2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide
CID 71237664
2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 71237803
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71242271
4-[[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237204
2-[(4,4-difluorocyclohexyl)amino]-4-[[(3S)-3-hydroxy-3-methylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 71242345
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71237811
2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 71242409

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide (CID 71237462) is 4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide is CC1(Nc2ncc(C(N)=O)c(NC3CCC(C)(C)C(O)C3)n2)CC1.
What is the InChIKey of 4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide?
The InChIKey is LNTGUMPMKGTAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-16(2)5-4-10(8-12(16)23)20-14-11(13(18)24)9-19-15(21-14)22-17(3)6-7-17/h9-10,12,23H,4-8H2,1-3H3,(H2,18,24)(H2,19,20,21,22).
What are the key properties of 4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide?
4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).