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

C18H18ClN5O3 — CID 17336894

IUPAC2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(OCc2nc(N)nc(Nc3cc(Cl)ccc3OC)n2)cc1
InChIInChI=1S/C18H18ClN5O3/c1-25-12-4-6-13(7-5-12)27-10-16-22-17(20)24-18(23-16)21-14-9-11(19)3-8-15(14)26-2/h3-9H,10H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyUVELKJYSQGJUAK-UHFFFAOYSA-N
MW387.83 g/mol
LogP3.45
Rot. Bonds7

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

2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 17336894) has the molecular formula C18H18ClN5O3 and a molecular weight of 387.83 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID17336894
Molecular FormulaC18H18ClN5O3
Molecular Weight387.83 g/mol
Exact Mass387.11
IUPAC Name2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(OCc2nc(N)nc(Nc3cc(Cl)ccc3OC)n2)cc1
InChIInChI=1S/C18H18ClN5O3/c1-25-12-4-6-13(7-5-12)27-10-16-22-17(20)24-18(23-16)21-14-9-11(19)3-8-15(14)26-2/h3-9H,10H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyUVELKJYSQGJUAK-UHFFFAOYSA-N
XLogP3.45
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763444
6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 937121
2-N-(5-chloro-2-methoxyphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 1494734
2-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 71786100
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80926064
6-[(2-methoxy-5-nitrophenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 38897966
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(4-methoxyphenoxy)propanoate
CID 46509712
4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 56921023
[4-amino-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-methylpiperidine-1-carbodithioate
CID 3408055
6-(chloromethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 931904
7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one
CID 38916991

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine (CID 17336894) is 2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine is COc1ccc(OCc2nc(N)nc(Nc3cc(Cl)ccc3OC)n2)cc1.
What is the InChIKey of 2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UVELKJYSQGJUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3/c1-25-12-4-6-13(7-5-12)27-10-16-22-17(20)24-18(23-16)21-14-9-11(19)3-8-15(14)26-2/h3-9H,10H2,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine?
2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 387.83 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17336894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).