4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile

C13H12FN5O — CID 155812235

IUPAC4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(NCCO)nc1-c1ccc(F)cc1
InChIInChI=1S/C13H12FN5O/c14-9-3-1-8(2-4-9)11-10(7-15)12(16)19-13(18-11)17-5-6-20/h1-4,20H,5-6H2,(H3,16,17,18,19)
InChIKeyYQNDZRLVORWQFH-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.14
Rot. Bonds4

About 4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile

4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile (PubChem CID 155812235) has the molecular formula C13H12FN5O and a molecular weight of 273.27 g/mol. Its IUPAC name is 4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile
PubChem CID155812235
Molecular FormulaC13H12FN5O
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC Name4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(NCCO)nc1-c1ccc(F)cc1
InChIInChI=1S/C13H12FN5O/c14-9-3-1-8(2-4-9)11-10(7-15)12(16)19-13(18-11)17-5-6-20/h1-4,20H,5-6H2,(H3,16,17,18,19)
InChIKeyYQNDZRLVORWQFH-UHFFFAOYSA-N
XLogP1.14
TPSA107.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile (CID 155812235) is 4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile is N#Cc1c(N)nc(NCCO)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
The InChIKey is YQNDZRLVORWQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O/c14-9-3-1-8(2-4-9)11-10(7-15)12(16)19-13(18-11)17-5-6-20/h1-4,20H,5-6H2,(H3,16,17,18,19).
What are the key properties of 4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile has a molecular weight of 273.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 155812235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).