2-(3-fluorophenyl)-4-propylpyrimidin-5-amine

C13H14FN3 — CID 114207096

IUPAC2-(3-fluorophenyl)-4-propylpyrimidin-5-amine
SMILESCCCc1nc(-c2cccc(F)c2)ncc1N
InChIInChI=1S/C13H14FN3/c1-2-4-12-11(15)8-16-13(17-12)9-5-3-6-10(14)7-9/h3,5-8H,2,4,15H2,1H3
InChIKeyOPKFMQOFJUEHAC-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.82
Rot. Bonds3

About 2-(3-fluorophenyl)-4-propylpyrimidin-5-amine

2-(3-fluorophenyl)-4-propylpyrimidin-5-amine (PubChem CID 114207096) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-propylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-propylpyrimidin-5-amine
PubChem CID114207096
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-(3-fluorophenyl)-4-propylpyrimidin-5-amine
SMILESCCCc1nc(-c2cccc(F)c2)ncc1N
InChIInChI=1S/C13H14FN3/c1-2-4-12-11(15)8-16-13(17-12)9-5-3-6-10(14)7-9/h3,5-8H,2,4,15H2,1H3
InChIKeyOPKFMQOFJUEHAC-UHFFFAOYSA-N
XLogP2.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-propylpyrimidin-5-amine?
The IUPAC name of 2-(3-fluorophenyl)-4-propylpyrimidin-5-amine (CID 114207096) is 2-(3-fluorophenyl)-4-propylpyrimidin-5-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-propylpyrimidin-5-amine?
The canonical SMILES for 2-(3-fluorophenyl)-4-propylpyrimidin-5-amine is CCCc1nc(-c2cccc(F)c2)ncc1N.
What is the InChIKey of 2-(3-fluorophenyl)-4-propylpyrimidin-5-amine?
The InChIKey is OPKFMQOFJUEHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-2-4-12-11(15)8-16-13(17-12)9-5-3-6-10(14)7-9/h3,5-8H,2,4,15H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-propylpyrimidin-5-amine?
2-(3-fluorophenyl)-4-propylpyrimidin-5-amine has a molecular weight of 231.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-propylpyrimidin-5-amine is sourced from PubChem (CID 114207096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).