1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea

C18H19N5O — CID 139535355

IUPAC1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2(c3ccnc(C#N)n3)CCCC2)cc1
InChIInChI=1S/C18H19N5O/c1-13-4-6-14(7-5-13)21-17(24)23-18(9-2-3-10-18)15-8-11-20-16(12-19)22-15/h4-8,11H,2-3,9-10H2,1H3,(H2,21,23,24)
InChIKeyIPPHWVCIKKRQOA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.25
Rot. Bonds3

About 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea

1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea (PubChem CID 139535355) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea
PubChem CID139535355
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2(c3ccnc(C#N)n3)CCCC2)cc1
InChIInChI=1S/C18H19N5O/c1-13-4-6-14(7-5-13)21-17(24)23-18(9-2-3-10-18)15-8-11-20-16(12-19)22-15/h4-8,11H,2-3,9-10H2,1H3,(H2,21,23,24)
InChIKeyIPPHWVCIKKRQOA-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea
CID 139535351
1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea
CID 139535233
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 139535271
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea
CID 150515744
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea
CID 139535363
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)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-[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
1-(1-cyanocycloheptyl)-3-(4-methylphenyl)urea
CID 61125014
(4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate
CID 153348294

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea (CID 139535355) is 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC2(c3ccnc(C#N)n3)CCCC2)cc1.
What is the InChIKey of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea?
The InChIKey is IPPHWVCIKKRQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-4-6-14(7-5-13)21-17(24)23-18(9-2-3-10-18)15-8-11-20-16(12-19)22-15/h4-8,11H,2-3,9-10H2,1H3,(H2,21,23,24).
What are the key properties of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea?
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea has a molecular weight of 321.38 g/mol, XLogP of 3.25, 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)cyclopentyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 139535355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).