4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile

C14H10ClFN4 — CID 86617278

IUPAC4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(NC2CC2)nc1-c1ccccc1F
InChIInChI=1S/C14H10ClFN4/c15-13-10(7-17)12(9-3-1-2-4-11(9)16)19-14(20-13)18-8-5-6-8/h1-4,8H,5-6H2,(H,18,19,20)
InChIKeyNILMPLXNVDQKBY-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.38
Rot. Bonds3

About 4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile

4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile (PubChem CID 86617278) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile
PubChem CID86617278
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(NC2CC2)nc1-c1ccccc1F
InChIInChI=1S/C14H10ClFN4/c15-13-10(7-17)12(9-3-1-2-4-11(9)16)19-14(20-13)18-8-5-6-8/h1-4,8H,5-6H2,(H,18,19,20)
InChIKeyNILMPLXNVDQKBY-UHFFFAOYSA-N
XLogP3.38
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile (CID 86617278) is 4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile is N#Cc1c(Cl)nc(NC2CC2)nc1-c1ccccc1F.
What is the InChIKey of 4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile?
The InChIKey is NILMPLXNVDQKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c15-13-10(7-17)12(9-3-1-2-4-11(9)16)19-14(20-13)18-8-5-6-8/h1-4,8H,5-6H2,(H,18,19,20).
What are the key properties of 4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile?
4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile has a molecular weight of 288.71 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 86617278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).