4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine

C12H12ClFN4O — CID 62858834

IUPAC4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C12H12ClFN4O/c1-18(7-8-4-3-5-9(14)6-8)11-15-10(13)16-12(17-11)19-2/h3-6H,7H2,1-2H3
InChIKeyFBLWHJCRBAKTSX-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.31
Rot. Bonds4

About 4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine

4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 62858834) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is 4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID62858834
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C12H12ClFN4O/c1-18(7-8-4-3-5-9(14)6-8)11-15-10(13)16-12(17-11)19-2/h3-6H,7H2,1-2H3
InChIKeyFBLWHJCRBAKTSX-UHFFFAOYSA-N
XLogP2.31
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-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

N-Allyl-N'-benzyl-6-ethoxy-[1,3,5]triazine-2,4-diamine
CID 3121126
N-benzyl-N'-(tert-butyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 778757
6-chloro-4-N-methyl-2-N-[(1R)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 76316032
6-chloro-2-N-methyl-4-N-[(1S)-1-phenylethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 76326951
N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine
CID 190396
6-chloro-4-N-[(4-fluorophenyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 56654218
6-chloro-2-N-methyl-4-N-[(1R)-1-phenylethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 76330618
N-benzyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 389521
6-chloro-4-N-methyl-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 76330620
N-benzyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 35295
N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1069460
N-[(2-fluorophenyl)methyl]-N-methyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 17517540

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 62858834) is 4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine is COc1nc(Cl)nc(N(C)Cc2cccc(F)c2)n1.
What is the InChIKey of 4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is FBLWHJCRBAKTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c1-18(7-8-4-3-5-9(14)6-8)11-15-10(13)16-12(17-11)19-2/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 282.71 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).