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

C19H21N5O — CID 139535351

IUPAC1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NC2(c3ccnc(C#N)n3)CCCC2)cc1C
InChIInChI=1S/C19H21N5O/c1-13-5-6-15(11-14(13)2)22-18(25)24-19(8-3-4-9-19)16-7-10-21-17(12-20)23-16/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,22,24,25)
InChIKeyJYOIPELYOFILOX-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.56
Rot. Bonds3

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

1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea (PubChem CID 139535351) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea
PubChem CID139535351
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NC2(c3ccnc(C#N)n3)CCCC2)cc1C
InChIInChI=1S/C19H21N5O/c1-13-5-6-15(11-14(13)2)22-18(25)24-19(8-3-4-9-19)16-7-10-21-17(12-20)23-16/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,22,24,25)
InChIKeyJYOIPELYOFILOX-UHFFFAOYSA-N
XLogP3.56
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea
CID 139535355
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea
CID 139535363
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-[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)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
1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433949
1-cyano-N-(3,4-dimethylphenyl)formamide
CID 4056837
2-[1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81149045

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea (CID 139535351) is 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NC2(c3ccnc(C#N)n3)CCCC2)cc1C.
What is the InChIKey of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea?
The InChIKey is JYOIPELYOFILOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-5-6-15(11-14(13)2)22-18(25)24-19(8-3-4-9-19)16-7-10-21-17(12-20)23-16/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,22,24,25).
What are the key properties of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea?
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea has a molecular weight of 335.41 g/mol, XLogP of 3.56, 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-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 139535351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).