2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile

C7H6ClFN4 — CID 22390657

IUPAC2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Cl)nc1NCCF
InChIInChI=1S/C7H6ClFN4/c8-7-12-4-5(3-10)6(13-7)11-2-1-9/h4H,1-2H2,(H,11,12,13)
InChIKeyLNTBKBQSPNVOIV-UHFFFAOYSA-N
MW200.60 g/mol
LogP1.38
Rot. Bonds3

About 2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile

2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile (PubChem CID 22390657) has the molecular formula C7H6ClFN4 and a molecular weight of 200.60 g/mol. Its IUPAC name is 2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile
PubChem CID22390657
Molecular FormulaC7H6ClFN4
Molecular Weight200.60 g/mol
Exact Mass200.03
IUPAC Name2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Cl)nc1NCCF
InChIInChI=1S/C7H6ClFN4/c8-7-12-4-5(3-10)6(13-7)11-2-1-9/h4H,1-2H2,(H,11,12,13)
InChIKeyLNTBKBQSPNVOIV-UHFFFAOYSA-N
XLogP1.38
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.60
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile (CID 22390657) is 2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile is N#Cc1cnc(Cl)nc1NCCF.
What is the InChIKey of 2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile?
The InChIKey is LNTBKBQSPNVOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN4/c8-7-12-4-5(3-10)6(13-7)11-2-1-9/h4H,1-2H2,(H,11,12,13).
What are the key properties of 2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile?
2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile has a molecular weight of 200.60 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-fluoroethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 22390657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).