6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine

C35H45Cl3N10O2 — CID 157445114

IUPAC6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(C)nc(NC3CCCCCC3)n2)cc1Cl.COc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1Cl
InChIInChI=1S/C18H24ClN5O.C17H21Cl2N5O/c1-12-20-17(22-13-7-5-3-4-6-8-13)24-18(21-12)23-14-9-10-16(25-2)15(19)11-14;1-25-14-9-8-12(10-13(14)18)21-17-23-15(19)22-16(24-17)20-11-6-4-2-3-5-7-11/h9-11,13H,3-8H2,1-2H3,(H2,20,21,22,23,24);8-11H,2-7H2,1H3,(H2,20,21,22,23,24)
InChIKeyBSCYXLZRBFTSGS-UHFFFAOYSA-N
MW744.17 g/mol
LogP9.79
Rot. Bonds10

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

6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 157445114) has the molecular formula C35H45Cl3N10O2 and a molecular weight of 744.17 g/mol. Its IUPAC name is 6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID157445114
Molecular FormulaC35H45Cl3N10O2
Molecular Weight744.17 g/mol
Exact Mass742.28
IUPAC Name6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(C)nc(NC3CCCCCC3)n2)cc1Cl.COc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1Cl
InChIInChI=1S/C18H24ClN5O.C17H21Cl2N5O/c1-12-20-17(22-13-7-5-3-4-6-8-13)24-18(21-12)23-14-9-10-16(25-2)15(19)11-14;1-25-14-9-8-12(10-13(14)18)21-17-23-15(19)22-16(24-17)20-11-6-4-2-3-5-7-11/h9-11,13H,3-8H2,1-2H3,(H2,20,21,22,23,24);8-11H,2-7H2,1H3,(H2,20,21,22,23,24)
InChIKeyBSCYXLZRBFTSGS-UHFFFAOYSA-N
XLogP9.79
TPSA143.92 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500744.17
LogP ≤ 59.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;ethane
CID 142875975
4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910612
4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine;ethane
CID 143126772
4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-N-(piperidin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 11397006
CID 87926427
CID 87926427
2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 10322649
4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
CID 10096488
sodium;6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(1-methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine;methane;(1-methylpyrrolidin-2-yl)methanol;hydroxide
CID 157479410
tert-butyl N-[2-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]amino]ethyl]carbamate
CID 11627558
4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[(2-ethylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine
CID 91309250
6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
CID 758948
6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;3-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]oxy]-2-ethylpyran-4-one;2-ethyl-3-hydroxypyran-4-one;methane
CID 160758373

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine (CID 157445114) is 6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(C)nc(NC3CCCCCC3)n2)cc1Cl.COc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1Cl.
What is the InChIKey of 6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BSCYXLZRBFTSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O.C17H21Cl2N5O/c1-12-20-17(22-13-7-5-3-4-6-8-13)24-18(21-12)23-14-9-10-16(25-2)15(19)11-14;1-25-14-9-8-12(10-13(14)18)21-17-23-15(19)22-16(24-17)20-11-6-4-2-3-5-7-11/h9-11,13H,3-8H2,1-2H3,(H2,20,21,22,23,24);8-11H,2-7H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 744.17 g/mol, XLogP of 9.79, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 157445114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).