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

C18H20BrN3O2 — CID 118543485

IUPAC5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)NC2CCC(c3ccccc3)CC2)=C1Br
InChIInChI=1S/C18H20BrN3O2/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,1,7-10H2,(H,21,23)(H2,20,22,24)
InChIKeyGUUYFDICVOVGQM-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.26
Rot. Bonds3

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

5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide (PubChem CID 118543485) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
PubChem CID118543485
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)NC2CCC(c3ccccc3)CC2)=C1Br
InChIInChI=1S/C18H20BrN3O2/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,1,7-10H2,(H,21,23)(H2,20,22,24)
InChIKeyGUUYFDICVOVGQM-UHFFFAOYSA-N
XLogP3.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543276
5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543439
5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide
CID 118543346
3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide
CID 86730086
N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733345
5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide
CID 118543389
N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
CID 63005682
1-(2-hydroxyethyl)-3-(4-phenylcyclohexyl)urea
CID 110894206
3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide
CID 141153851
1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285410
N-(4-phenylcyclohexyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119716224
5-(2,2-dimethylpropylamino)-2,4-dioxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543442

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide (CID 118543485) is 5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)NC2CCC(c3ccccc3)CC2)=C1Br.
What is the InChIKey of 5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide?
The InChIKey is GUUYFDICVOVGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/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,1,7-10H2,(H,21,23)(H2,20,22,24).
What are the key properties of 5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide?
5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide has a molecular weight of 390.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118543485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).