4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide

C21H28N6O — CID 71242454

IUPAC4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide
SMILESCC1CCC(Nc2nc(N[C@@H]3CCc4ncccc4C3)ncc2C(N)=O)CC1
InChIInChI=1S/C21H28N6O/c1-13-4-6-15(7-5-13)25-20-17(19(22)28)12-24-21(27-20)26-16-8-9-18-14(11-16)3-2-10-23-18/h2-3,10,12-13,15-16H,4-9,11H2,1H3,(H2,22,28)(H2,24,25,26,27)/t13?,15?,16-/m1/s1
InChIKeyLGJMIESUCAEALL-AVVWSFFYSA-N
MW380.50 g/mol
LogP2.93
Rot. Bonds5

About 4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide

4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide (PubChem CID 71242454) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide
PubChem CID71242454
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide
SMILESCC1CCC(Nc2nc(N[C@@H]3CCc4ncccc4C3)ncc2C(N)=O)CC1
InChIInChI=1S/C21H28N6O/c1-13-4-6-15(7-5-13)25-20-17(19(22)28)12-24-21(27-20)26-16-8-9-18-14(11-16)3-2-10-23-18/h2-3,10,12-13,15-16H,4-9,11H2,1H3,(H2,22,28)(H2,24,25,26,27)/t13?,15?,16-/m1/s1
InChIKeyLGJMIESUCAEALL-AVVWSFFYSA-N
XLogP2.93
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-[[(1R,3S)-3-methylcycloheptyl]amino]-2-[[(6S)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide
CID 118375414
4-[[(1R,3S)-3-methylcycloheptyl]amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide
CID 118375410
2-(propan-2-ylamino)-6-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyridine-3-carboxamide
CID 118375397
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
4-[[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237204
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316
4-[[(1R,3S)-3-methylcyclohexyl]amino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carboxamide
CID 118375392
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-(5,6,7,8-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 71237646
2-[[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]amino]pyrimidine-5-carboxamide
CID 156678006
2-(tert-butylamino)-4-[[(3R,4R)-3-hydroxy-3,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 134192870
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71237811
2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide
CID 66576399

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide (CID 71242454) is 4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide is CC1CCC(Nc2nc(N[C@@H]3CCc4ncccc4C3)ncc2C(N)=O)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is LGJMIESUCAEALL-AVVWSFFYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-13-4-6-15(7-5-13)25-20-17(19(22)28)12-24-21(27-20)26-16-8-9-18-14(11-16)3-2-10-23-18/h2-3,10,12-13,15-16H,4-9,11H2,1H3,(H2,22,28)(H2,24,25,26,27)/t13?,15?,16-/m1/s1.
What are the key properties of 4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide?
4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)amino]-2-[[(6R)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71242454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).