(4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate

C19H19FN4O2 — CID 153348294

IUPAC(4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate
SMILESN#Cc1nccc(C2(NC(=O)OCc3ccc(F)cc3)CCCCC2)n1
InChIInChI=1S/C19H19FN4O2/c20-15-6-4-14(5-7-15)13-26-18(25)24-19(9-2-1-3-10-19)16-8-11-22-17(12-21)23-16/h4-8,11H,1-3,9-10,13H2,(H,24,25)
InChIKeyOQJPZFQSAPUCEM-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.57
Rot. Bonds4

About (4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate

(4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate (PubChem CID 153348294) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate
PubChem CID153348294
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name(4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate
SMILESN#Cc1nccc(C2(NC(=O)OCc3ccc(F)cc3)CCCCC2)n1
InChIInChI=1S/C19H19FN4O2/c20-15-6-4-14(5-7-15)13-26-18(25)24-19(9-2-1-3-10-19)16-8-11-22-17(12-21)23-16/h4-8,11H,1-3,9-10,13H2,(H,24,25)
InChIKeyOQJPZFQSAPUCEM-UHFFFAOYSA-N
XLogP3.57
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(trifluoromethyl)phenyl]methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate
CID 153348338
(4-bromophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]carbamate;(4-methylsulfonylphenyl)boronic acid;[4-(4-methylsulfonylphenyl)phenyl]methyl N-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]carbamate
CID 162256677
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-[5-fluoro-2-(trifluoromethyl)phenyl]urea
CID 151422028
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-(3,4-dimethylphenyl)urea
CID 139535351
benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate
CID 53216887
2-cyano-4-[1-[[4-[4-[(sulfinoamino)methyl]phenyl]-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]pyrimidine
CID 174224932
1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-[4-(4-propan-2-ylpiperidin-1-yl)phenyl]urea
CID 151045981
(4-bromophenyl)methyl-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]carbamic acid
CID 174224929
(4-fluorophenyl)methyl N-aminocarbamate
CID 131187793

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate?
The IUPAC name of (4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate (CID 153348294) is (4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate is N#Cc1nccc(C2(NC(=O)OCc3ccc(F)cc3)CCCCC2)n1.
What is the InChIKey of (4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate?
The InChIKey is OQJPZFQSAPUCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-15-6-4-14(5-7-15)13-26-18(25)24-19(9-2-1-3-10-19)16-8-11-22-17(12-21)23-16/h4-8,11H,1-3,9-10,13H2,(H,24,25).
What are the key properties of (4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate?
(4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate has a molecular weight of 354.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate is sourced from PubChem (CID 153348294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).