2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine

C13H15FN4 — CID 79718258

IUPAC2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2ccc(F)cn2)n1
InChIInChI=1S/C13H15FN4/c1-3-6-15-12-7-9(2)17-13(18-12)11-5-4-10(14)8-16-11/h4-5,7-8H,3,6H2,1-2H3,(H,15,17,18)
InChIKeyUEQVQIUEEXMGRP-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.81
Rot. Bonds4

About 2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine

2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 79718258) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID79718258
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2ccc(F)cn2)n1
InChIInChI=1S/C13H15FN4/c1-3-6-15-12-7-9(2)17-13(18-12)11-5-4-10(14)8-16-11/h4-5,7-8H,3,6H2,1-2H3,(H,15,17,18)
InChIKeyUEQVQIUEEXMGRP-UHFFFAOYSA-N
XLogP2.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine (CID 79718258) is 2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(-c2ccc(F)cn2)n1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is UEQVQIUEEXMGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-3-6-15-12-7-9(2)17-13(18-12)11-5-4-10(14)8-16-11/h4-5,7-8H,3,6H2,1-2H3,(H,15,17,18).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine?
2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 246.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79718258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).