1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea

C18H19N5O — CID 139535233

IUPAC1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea
SMILESN#Cc1nccc(C2(NC(=O)Nc3ccccc3)CCCCC2)n1
InChIInChI=1S/C18H19N5O/c19-13-16-20-12-9-15(22-16)18(10-5-2-6-11-18)23-17(24)21-14-7-3-1-4-8-14/h1,3-4,7-9,12H,2,5-6,10-11H2,(H2,21,23,24)
InChIKeyZASMCJKFZXSYQP-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.33
Rot. Bonds3

About 1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea

1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea (PubChem CID 139535233) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea
PubChem CID139535233
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea
SMILESN#Cc1nccc(C2(NC(=O)Nc3ccccc3)CCCCC2)n1
InChIInChI=1S/C18H19N5O/c19-13-16-20-12-9-15(22-16)18(10-5-2-6-11-18)23-17(24)21-14-7-3-1-4-8-14/h1,3-4,7-9,12H,2,5-6,10-11H2,(H2,21,23,24)
InChIKeyZASMCJKFZXSYQP-UHFFFAOYSA-N
XLogP3.33
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea
CID 150515744
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea
CID 139535355
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 139535271
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea
CID 139535363
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea
CID 139535351
1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-[4-(4-propan-2-ylpiperidin-1-yl)phenyl]urea
CID 151045981
1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]urea
CID 139535406
1-[4-[4-(4-acetylpiperazin-1-yl)phenyl]phenyl]-3-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]urea
CID 150847256
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-[5-fluoro-2-(trifluoromethyl)phenyl]urea
CID 151422028
2-cyano-4-[1-[[4-[4-[(sulfinoamino)methyl]phenyl]-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]pyrimidine
CID 174224932
(4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate
CID 153348294
4-[4-[[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamoylamino]-2-fluorophenyl]benzoic acid;1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-(3-fluoro-4-iodophenyl)urea;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CID 158049376

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea?
The IUPAC name of 1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea (CID 139535233) is 1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea.
What is the SMILES notation for 1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea?
The canonical SMILES for 1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea is N#Cc1nccc(C2(NC(=O)Nc3ccccc3)CCCCC2)n1.
What is the InChIKey of 1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea?
The InChIKey is ZASMCJKFZXSYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-13-16-20-12-9-15(22-16)18(10-5-2-6-11-18)23-17(24)21-14-7-3-1-4-8-14/h1,3-4,7-9,12H,2,5-6,10-11H2,(H2,21,23,24).
What are the key properties of 1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea?
1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea has a molecular weight of 321.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea is sourced from PubChem (CID 139535233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).