2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine

C12H14FN5 — CID 112746204

IUPAC2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(Cc1ccc(F)cc1)Nc1ncnc(N)n1
InChIInChI=1S/C12H14FN5/c1-8(6-9-2-4-10(13)5-3-9)17-12-16-7-15-11(14)18-12/h2-5,7-8H,6H2,1H3,(H3,14,15,16,17,18)
InChIKeyPAPAWBAESJTRST-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.64
Rot. Bonds4

About 2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine

2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 112746204) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID112746204
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC Name2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(Cc1ccc(F)cc1)Nc1ncnc(N)n1
InChIInChI=1S/C12H14FN5/c1-8(6-9-2-4-10(13)5-3-9)17-12-16-7-15-11(14)18-12/h2-5,7-8H,6H2,1H3,(H3,14,15,16,17,18)
InChIKeyPAPAWBAESJTRST-UHFFFAOYSA-N
XLogP1.64
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine 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

2-[1-(4-fluorophenyl)propan-2-ylamino]pyrimidine-4-carbothioamide
CID 107547388
N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine
CID 115355112
6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80824246
5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine
CID 80913978
6-amino-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 63009864
4-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]benzoic acid
CID 82776318
6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine
CID 66325636
N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 60966377
3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine
CID 62996546
2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine
CID 80958842
2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553885
N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115916812

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine (CID 112746204) is 2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine is CC(Cc1ccc(F)cc1)Nc1ncnc(N)n1.
What is the InChIKey of 2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is PAPAWBAESJTRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c1-8(6-9-2-4-10(13)5-3-9)17-12-16-7-15-11(14)18-12/h2-5,7-8H,6H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine?
2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 247.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).