4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

C14H17FN4O — CID 115503015

IUPAC4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(-c2cccc(F)c2C)n1
InChIInChI=1S/C14H17FN4O/c1-8(2)20-14-18-12(17-13(16-4)19-14)10-6-5-7-11(15)9(10)3/h5-8H,1-4H3,(H,16,17,18,19)
InChIKeyCRKJBCORAORFAR-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.82
Rot. Bonds4

About 4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 115503015) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID115503015
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(-c2cccc(F)c2C)n1
InChIInChI=1S/C14H17FN4O/c1-8(2)20-14-18-12(17-13(16-4)19-14)10-6-5-7-11(15)9(10)3/h5-8H,1-4H3,(H,16,17,18,19)
InChIKeyCRKJBCORAORFAR-UHFFFAOYSA-N
XLogP2.82
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-(3-fluoro-2-methylphenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 115502962
4-(2-fluoro-4-methoxyphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115505268
N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80900644
2-N-(2-fluoro-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80729258
2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80760502
2-N,4-N-dimethyl-2-N-(3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80795763
4-(2-bromophenyl)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115503733
4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
CID 82812014
2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 138579162
2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 106646719
4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 104739326
4-N-ethyl-6-(3-fluoro-2-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 115503066

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 115503015) is 4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CNc1nc(OC(C)C)nc(-c2cccc(F)c2C)n1.
What is the InChIKey of 4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is CRKJBCORAORFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-8(2)20-14-18-12(17-13(16-4)19-14)10-6-5-7-11(15)9(10)3/h5-8H,1-4H3,(H,16,17,18,19).
What are the key properties of 4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 276.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 115503015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).