4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C19H19ClFN5O — CID 45277359

IUPAC4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cc2nc(Nc3ccc(F)c(Cl)c3)nc(N(C)C)n2)cc1
InChIInChI=1S/C19H19ClFN5O/c1-26(2)19-24-17(10-12-4-7-14(27-3)8-5-12)23-18(25-19)22-13-6-9-16(21)15(20)11-13/h4-9,11H,10H2,1-3H3,(H,22,23,24,25)
InChIKeySQSNFHFTEJTTGW-UHFFFAOYSA-N
MW387.85 g/mol
LogP4.07
Rot. Bonds6

About 4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 45277359) has the molecular formula C19H19ClFN5O and a molecular weight of 387.85 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID45277359
Molecular FormulaC19H19ClFN5O
Molecular Weight387.85 g/mol
Exact Mass387.13
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cc2nc(Nc3ccc(F)c(Cl)c3)nc(N(C)C)n2)cc1
InChIInChI=1S/C19H19ClFN5O/c1-26(2)19-24-17(10-12-4-7-14(27-3)8-5-12)23-18(25-19)22-13-6-9-16(21)15(20)11-13/h4-9,11H,10H2,1-3H3,(H,22,23,24,25)
InChIKeySQSNFHFTEJTTGW-UHFFFAOYSA-N
XLogP4.07
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-Chloro-2-methoxy-phenyl)-N-(4-chloro-phenyl)-[1,3,5]triazine-2,4-diamine
CID 10269990
6-(4-methoxyphenyl)-4-N-methyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164613485
2-N-(3-chloro-4-methylphenyl)-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 665892
N-(4-amino-6-{[4-(4-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-N-(3-chloro-4-methylphenyl)amine
CID 666419
6-(2-chloro-4-methylphenoxy)-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 145984109
4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164613880
4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164614490
N-(4-amino-6-{[4-(3-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-N-(3-chloro-4-methylphenyl)amine
CID 1214348
4-N-[3-chloro-5-(4-methoxyphenyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 137635286
6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 7998766
4-[(4-chlorophenoxy)methyl]-6-imino-N-(p-tolyl)-1H-1,3,5-triazin-2-amine
CID 8357886
4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 164615307

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 45277359) is 4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COc1ccc(Cc2nc(Nc3ccc(F)c(Cl)c3)nc(N(C)C)n2)cc1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SQSNFHFTEJTTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O/c1-26(2)19-24-17(10-12-4-7-14(27-3)8-5-12)23-18(25-19)22-13-6-9-16(21)15(20)11-13/h4-9,11H,10H2,1-3H3,(H,22,23,24,25).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 387.85 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 45277359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).