6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C17H16ClN5O2 — CID 3634041

IUPAC6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(Cl)nc(Nc2ccccc2OC)n1
InChIInChI=1S/C17H16ClN5O2/c1-24-13-9-5-3-7-11(13)19-16-21-15(18)22-17(23-16)20-12-8-4-6-10-14(12)25-2/h3-10H,1-2H3,(H2,19,20,21,22,23)
InChIKeyBVTLUNCYZNMSJD-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.03
Rot. Bonds6

About 6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 3634041) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID3634041
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(Cl)nc(Nc2ccccc2OC)n1
InChIInChI=1S/C17H16ClN5O2/c1-24-13-9-5-3-7-11(13)19-16-21-15(18)22-17(23-16)20-12-8-4-6-10-14(12)25-2/h3-10H,1-2H3,(H2,19,20,21,22,23)
InChIKeyBVTLUNCYZNMSJD-UHFFFAOYSA-N
XLogP4.03
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-4-N-methyl-2-N-[2-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 80768863
2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 55080697
6-ethoxy-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80768642
4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine
CID 107645630
4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine
CID 62858993
3-N-(2-chlorophenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965783
2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 4542663
N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18584608
2-N-(4-chloro-2-methylphenyl)-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930048
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate
CID 173416428
4,6-dichloro-N-[2-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenyl]-1,3,5-triazin-2-amine
CID 1376680
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 3634041) is 6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccccc1Nc1nc(Cl)nc(Nc2ccccc2OC)n1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BVTLUNCYZNMSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-24-13-9-5-3-7-11(13)19-16-21-15(18)22-17(23-16)20-12-8-4-6-10-14(12)25-2/h3-10H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 357.80 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3634041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).