2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine

C14H16FN3 — CID 62192800

IUPAC2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(Cc2ccccc2F)n1
InChIInChI=1S/C14H16FN3/c1-9(2)12-8-13(16)18-14(17-12)7-10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3,(H2,16,17,18)
InChIKeyAYEYXGKUAVWTLF-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.91
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine

2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 62192800) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID62192800
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(Cc2ccccc2F)n1
InChIInChI=1S/C14H16FN3/c1-9(2)12-8-13(16)18-14(17-12)7-10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3,(H2,16,17,18)
InChIKeyAYEYXGKUAVWTLF-UHFFFAOYSA-N
XLogP2.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-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 2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 62192800) is 2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(N)nc(Cc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is AYEYXGKUAVWTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9(2)12-8-13(16)18-14(17-12)7-10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 245.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62192800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).