1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea

C23H31N7O2 — CID 27162469

IUPAC1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea
SMILESO=C(Nc1nc(NC(=O)NC2CCCCC2)nc(-c2ccccc2)n1)NC1CCCCC1
InChIInChI=1S/C23H31N7O2/c31-22(24-17-12-6-2-7-13-17)29-20-26-19(16-10-4-1-5-11-16)27-21(28-20)30-23(32)25-18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2,(H4,24,25,26,27,28,29,30,31,32)
InChIKeyVQRBTKIMIGSOCN-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.45
Rot. Bonds5

About 1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea

1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea (PubChem CID 27162469) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea
PubChem CID27162469
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC Name1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea
SMILESO=C(Nc1nc(NC(=O)NC2CCCCC2)nc(-c2ccccc2)n1)NC1CCCCC1
InChIInChI=1S/C23H31N7O2/c31-22(24-17-12-6-2-7-13-17)29-20-26-19(16-10-4-1-5-11-16)27-21(28-20)30-23(32)25-18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2,(H4,24,25,26,27,28,29,30,31,32)
InChIKeyVQRBTKIMIGSOCN-UHFFFAOYSA-N
XLogP4.45
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-cyclododecyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812610
1-cyclobutyl-3-(2-phenylphenyl)urea
CID 115617882
1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 25421760
1-cyclohexyl-3-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 25421755
1-(oxepan-4-yl)-3-(2-phenylpyrimidin-5-yl)urea
CID 136520743
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168691

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea (CID 27162469) is 1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea is O=C(Nc1nc(NC(=O)NC2CCCCC2)nc(-c2ccccc2)n1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea?
The InChIKey is VQRBTKIMIGSOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c31-22(24-17-12-6-2-7-13-17)29-20-26-19(16-10-4-1-5-11-16)27-21(28-20)30-23(32)25-18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2,(H4,24,25,26,27,28,29,30,31,32).
What are the key properties of 1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea?
1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea has a molecular weight of 437.55 g/mol, XLogP of 4.45, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea is sourced from PubChem (CID 27162469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).