[2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine

C14H13FN6 — CID 169043433

IUPAC[2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine
SMILESCn1cc(-c2nc(-c3ccc(F)cc3)ncc2CN)nn1
InChIInChI=1S/C14H13FN6/c1-21-8-12(19-20-21)13-10(6-16)7-17-14(18-13)9-2-4-11(15)5-3-9/h2-5,7-8H,6,16H2,1H3
InChIKeyMGMJCNFBPLBEQW-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.54
Rot. Bonds3

About [2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine

[2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine (PubChem CID 169043433) has the molecular formula C14H13FN6 and a molecular weight of 284.30 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine
PubChem CID169043433
Molecular FormulaC14H13FN6
Molecular Weight284.30 g/mol
Exact Mass284.12
IUPAC Name[2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine
SMILESCn1cc(-c2nc(-c3ccc(F)cc3)ncc2CN)nn1
InChIInChI=1S/C14H13FN6/c1-21-8-12(19-20-21)13-10(6-16)7-17-14(18-13)9-2-4-11(15)5-3-9/h2-5,7-8H,6,16H2,1H3
InChIKeyMGMJCNFBPLBEQW-UHFFFAOYSA-N
XLogP1.54
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine 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-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine (CID 169043433) is [2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine is Cn1cc(-c2nc(-c3ccc(F)cc3)ncc2CN)nn1.
What is the InChIKey of [2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine?
The InChIKey is MGMJCNFBPLBEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6/c1-21-8-12(19-20-21)13-10(6-16)7-17-14(18-13)9-2-4-11(15)5-3-9/h2-5,7-8H,6,16H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine?
[2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine has a molecular weight of 284.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-4-(1-methyltriazol-4-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 169043433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).