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

C18H22N4O2 — CID 118543276

IUPAC5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)NC2CCC(c3ccccc3)CC2)=C1N
InChIInChI=1S/C18H22N4O2/c1-11-15(19)16(22-18(24)20-11)17(23)21-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,13-14H,1,7-10,19H2,(H,21,23)(H2,20,22,24)
InChIKeyZFNHFIFXAWDSQW-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.83
Rot. Bonds3

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

5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide (PubChem CID 118543276) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
PubChem CID118543276
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)NC2CCC(c3ccccc3)CC2)=C1N
InChIInChI=1S/C18H22N4O2/c1-11-15(19)16(22-18(24)20-11)17(23)21-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,13-14H,1,7-10,19H2,(H,21,23)(H2,20,22,24)
InChIKeyZFNHFIFXAWDSQW-UHFFFAOYSA-N
XLogP1.83
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide
CID 118543346
5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543485
5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543439
5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide
CID 118543389
5-amino-N-[4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 118543324
5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide
CID 118543322
5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide
CID 118543407
1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285410
3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide
CID 86730086
N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733345
N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
CID 63005682
1-(2-hydroxyethyl)-3-(4-phenylcyclohexyl)urea
CID 110894206

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide (CID 118543276) is 5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)NC2CCC(c3ccccc3)CC2)=C1N.
What is the InChIKey of 5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide?
The InChIKey is ZFNHFIFXAWDSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-15(19)16(22-18(24)20-11)17(23)21-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,13-14H,1,7-10,19H2,(H,21,23)(H2,20,22,24).
What are the key properties of 5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide?
5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118543276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).