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

C12H13FN4 — CID 79717957

IUPAC2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2ccc(F)cn2)n1
InChIInChI=1S/C12H13FN4/c1-2-6-14-11-5-7-15-12(17-11)10-4-3-9(13)8-16-10/h3-5,7-8H,2,6H2,1H3,(H,14,15,17)
InChIKeyIWFCHQILTXZCEF-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.50
Rot. Bonds4

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

2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine (PubChem CID 79717957) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine
PubChem CID79717957
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2ccc(F)cn2)n1
InChIInChI=1S/C12H13FN4/c1-2-6-14-11-5-7-15-12(17-11)10-4-3-9(13)8-16-10/h3-5,7-8H,2,6H2,1H3,(H,14,15,17)
InChIKeyIWFCHQILTXZCEF-UHFFFAOYSA-N
XLogP2.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine
CID 79718258
2-(5-fluoro-2-pyridinyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 79713717
N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine
CID 79718153
5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79713731
4-chloro-2-(5-fluoro-2-pyridinyl)pyrimidine
CID 79722033
2-(5-methylthiophen-2-yl)-N-propylpyrimidin-4-amine
CID 62203140
N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62201721
2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 62191848
2-(3-bromophenyl)-N-propylpyrimidin-4-amine
CID 55135437
2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine
CID 63037745
2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine
CID 106889197
2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine
CID 62203835

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine (CID 79717957) is 2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine is CCCNc1ccnc(-c2ccc(F)cn2)n1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine?
The InChIKey is IWFCHQILTXZCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-2-6-14-11-5-7-15-12(17-11)10-4-3-9(13)8-16-10/h3-5,7-8H,2,6H2,1H3,(H,14,15,17).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine?
2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine has a molecular weight of 232.26 g/mol, XLogP of 2.50, 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)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79717957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).