N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine

C12H13FN4 — CID 79718153

IUPACN-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(-c2ccc(F)cn2)n1
InChIInChI=1S/C12H13FN4/c1-3-14-11-6-8(2)16-12(17-11)10-5-4-9(13)7-15-10/h4-7H,3H2,1-2H3,(H,14,16,17)
InChIKeyUYRVYYSSFORXPU-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.42
Rot. Bonds3

About N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine

N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine (PubChem CID 79718153) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine
PubChem CID79718153
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC NameN-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(-c2ccc(F)cn2)n1
InChIInChI=1S/C12H13FN4/c1-3-14-11-6-8(2)16-12(17-11)10-5-4-9(13)7-15-10/h4-7H,3H2,1-2H3,(H,14,16,17)
InChIKeyUYRVYYSSFORXPU-UHFFFAOYSA-N
XLogP2.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine (CID 79718153) is N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(-c2ccc(F)cn2)n1.
What is the InChIKey of N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine?
The InChIKey is UYRVYYSSFORXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-3-14-11-6-8(2)16-12(17-11)10-5-4-9(13)7-15-10/h4-7H,3H2,1-2H3,(H,14,16,17).
What are the key properties of N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine?
N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine has a molecular weight of 232.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 79718153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).