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

C19H21FN6O — CID 26300352

IUPAC2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1CN(C)Cc1nc(N)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H21FN6O/c1-26(11-13-5-3-4-6-16(13)27-2)12-17-23-18(21)25-19(24-17)22-15-9-7-14(20)8-10-15/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyFAFIRUIDGCMXFY-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.98
Rot. Bonds7

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

2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 26300352) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID26300352
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1CN(C)Cc1nc(N)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H21FN6O/c1-26(11-13-5-3-4-6-16(13)27-2)12-17-23-18(21)25-19(24-17)22-15-9-7-14(20)8-10-15/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyFAFIRUIDGCMXFY-UHFFFAOYSA-N
XLogP2.98
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 17489842
6-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 18094962
6-[[(4-ethylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 26300445
6-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 78818933
6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 142393995
6-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 55542551
6-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 26635001
6-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 78818929
6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 78820252
6-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 55432683
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 60594077
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine (CID 26300352) is 2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine is COc1ccccc1CN(C)Cc1nc(N)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FAFIRUIDGCMXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-26(11-13-5-3-4-6-16(13)27-2)12-17-23-18(21)25-19(24-17)22-15-9-7-14(20)8-10-15/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 368.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 26300352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).