5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide

C26H36N4O2 — CID 118543439

IUPAC5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)NC2CCC(c3ccccc3)CC2)=C1N[C@@H](C)C1CCCCC1
InChIInChI=1S/C26H36N4O2/c1-17(19-9-5-3-6-10-19)27-23-18(2)28-26(32)30-24(23)25(31)29-22-15-13-21(14-16-22)20-11-7-4-8-12-20/h4,7-8,11-12,17,19,21-22,27H,2-3,5-6,9-10,13-16H2,1H3,(H,29,31)(H2,28,30,32)/t17-,21?,22?/m0/s1
InChIKeyALRJXUBXEUFSRW-YTXWROIDSA-N
MW436.60 g/mol
LogP4.43
Rot. Bonds6

About 5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide

5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide (PubChem CID 118543439) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
PubChem CID118543439
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)NC2CCC(c3ccccc3)CC2)=C1N[C@@H](C)C1CCCCC1
InChIInChI=1S/C26H36N4O2/c1-17(19-9-5-3-6-10-19)27-23-18(2)28-26(32)30-24(23)25(31)29-22-15-13-21(14-16-22)20-11-7-4-8-12-20/h4,7-8,11-12,17,19,21-22,27H,2-3,5-6,9-10,13-16H2,1H3,(H,29,31)(H2,28,30,32)/t17-,21?,22?/m0/s1
InChIKeyALRJXUBXEUFSRW-YTXWROIDSA-N
XLogP4.43
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543485
5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543276
5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide
CID 118543346
N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine
CID 43779146
1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285410
4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride
CID 119716199
5-(2,2-dimethylpropylamino)-2,4-dioxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543442
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide
CID 141153851
3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide
CID 86730086
4-amino-N-(4-phenylcyclohexyl)butanamide
CID 43699336
N-(4-phenylcyclohexyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119716224

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide (CID 118543439) is 5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)NC2CCC(c3ccccc3)CC2)=C1N[C@@H](C)C1CCCCC1.
What is the InChIKey of 5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide?
The InChIKey is ALRJXUBXEUFSRW-YTXWROIDSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-17(19-9-5-3-6-10-19)27-23-18(2)28-26(32)30-24(23)25(31)29-22-15-13-21(14-16-22)20-11-7-4-8-12-20/h4,7-8,11-12,17,19,21-22,27H,2-3,5-6,9-10,13-16H2,1H3,(H,29,31)(H2,28,30,32)/t17-,21?,22?/m0/s1.
What are the key properties of 5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide?
5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 4.43, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118543439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).