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

C21H25N5O3 — CID 135029985

IUPAC6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Cc3ccc(OC)c(OC)c3)nc(N(C)C)n2)cc1
InChIInChI=1S/C21H25N5O3/c1-26(2)21-24-19(13-14-6-11-17(28-4)18(12-14)29-5)23-20(25-21)22-15-7-9-16(27-3)10-8-15/h6-12H,13H2,1-5H3,(H,22,23,24,25)
InChIKeySJLATSDPBCMJIG-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.30
Rot. Bonds8

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

6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 135029985) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID135029985
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Cc3ccc(OC)c(OC)c3)nc(N(C)C)n2)cc1
InChIInChI=1S/C21H25N5O3/c1-26(2)21-24-19(13-14-6-11-17(28-4)18(12-14)29-5)23-20(25-21)22-15-7-9-16(27-3)10-8-15/h6-12H,13H2,1-5H3,(H,22,23,24,25)
InChIKeySJLATSDPBCMJIG-UHFFFAOYSA-N
XLogP3.30
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 162396917
4-(3,4-Dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine
CID 629427
4-(3,4-Dimethoxyphenyl)-6-phenyl-2-(1-pyrrolidinyl)pyrimidine
CID 630454
6-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl}-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 1258161
6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine
CID 11597347
6-(4-methoxyphenyl)-4-N-methyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164613485
6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164628688
4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 171037359
6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 666302
6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-phenyl-1,3,5-triazine-2,4-diamine
CID 667103
6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1969833

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 135029985) is 6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(Cc3ccc(OC)c(OC)c3)nc(N(C)C)n2)cc1.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SJLATSDPBCMJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-26(2)21-24-19(13-14-6-11-17(28-4)18(12-14)29-5)23-20(25-21)22-15-7-9-16(27-3)10-8-15/h6-12H,13H2,1-5H3,(H,22,23,24,25).
What are the key properties of 6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 395.46 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 135029985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).