1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea

C19H24N4O — CID 126768193

IUPAC1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea
SMILESCc1nccc(CNC(=O)NC2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N4O/c1-14-20-12-11-18(22-14)13-21-19(24)23-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13H2,1H3,(H2,21,23,24)
InChIKeyVILCGTQJASXKCK-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.31
Rot. Bonds4

About 1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea

1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea (PubChem CID 126768193) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea.

Molecular Properties

Compound Name1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea
PubChem CID126768193
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea
SMILESCc1nccc(CNC(=O)NC2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N4O/c1-14-20-12-11-18(22-14)13-21-19(24)23-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13H2,1H3,(H2,21,23,24)
InChIKeyVILCGTQJASXKCK-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea
CID 56823999
N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 54902257
1-(2-hydroxyethyl)-3-(4-phenylcyclohexyl)urea
CID 110894206
1-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 96530358
2-(cyclopentylamino)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 54901558
1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 71972649
(3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide
CID 95968998
1-(3-methylbutan-2-yl)-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47328249
(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide
CID 93444407
2-[2-[(2-methylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzoic acid
CID 115923726
2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114434
1-[(4-chlorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47323613

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea?
The IUPAC name of 1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea (CID 126768193) is 1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea.
What is the SMILES notation for 1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea?
The canonical SMILES for 1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea is Cc1nccc(CNC(=O)NC2CCC(c3ccccc3)CC2)n1.
What is the InChIKey of 1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea?
The InChIKey is VILCGTQJASXKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-20-12-11-18(22-14)13-21-19(24)23-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13H2,1H3,(H2,21,23,24).
What are the key properties of 1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea?
1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea has a molecular weight of 324.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea is sourced from PubChem (CID 126768193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).