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

C23H21N5O2 — CID 150515744

IUPAC1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea
SMILESN#Cc1nccc(C2(NC(=O)Nc3ccc(Oc4ccccc4)cc3)CCCC2)n1
InChIInChI=1S/C23H21N5O2/c24-16-21-25-15-12-20(27-21)23(13-4-5-14-23)28-22(29)26-17-8-10-19(11-9-17)30-18-6-2-1-3-7-18/h1-3,6-12,15H,4-5,13-14H2,(H2,26,28,29)
InChIKeyIATWYHSRUNOTSA-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.73
Rot. Bonds5

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

1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea (PubChem CID 150515744) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea
PubChem CID150515744
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea
SMILESN#Cc1nccc(C2(NC(=O)Nc3ccc(Oc4ccccc4)cc3)CCCC2)n1
InChIInChI=1S/C23H21N5O2/c24-16-21-25-15-12-20(27-21)23(13-4-5-14-23)28-22(29)26-17-8-10-19(11-9-17)30-18-6-2-1-3-7-18/h1-3,6-12,15H,4-5,13-14H2,(H2,26,28,29)
InChIKeyIATWYHSRUNOTSA-UHFFFAOYSA-N
XLogP4.73
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea
CID 139535233
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-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215141
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea (CID 150515744) is 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea is N#Cc1nccc(C2(NC(=O)Nc3ccc(Oc4ccccc4)cc3)CCCC2)n1.
What is the InChIKey of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea?
The InChIKey is IATWYHSRUNOTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c24-16-21-25-15-12-20(27-21)23(13-4-5-14-23)28-22(29)26-17-8-10-19(11-9-17)30-18-6-2-1-3-7-18/h1-3,6-12,15H,4-5,13-14H2,(H2,26,28,29).
What are the key properties of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea?
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea has a molecular weight of 399.45 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 150515744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).