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

C16H20ClN5O — CID 826987

IUPAC6-(5-chloro-2-methoxyphenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cl)cc1-c1nc(N)nc(NC2CCCCC2)n1
InChIInChI=1S/C16H20ClN5O/c1-23-13-8-7-10(17)9-12(13)14-20-15(18)22-16(21-14)19-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H3,18,19,20,21,22)
InChIKeyPPAWWNLXCKGWES-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.53
Rot. Bonds4

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

6-(5-chloro-2-methoxyphenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine (PubChem CID 826987) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
PubChem CID826987
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name6-(5-chloro-2-methoxyphenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cl)cc1-c1nc(N)nc(NC2CCCCC2)n1
InChIInChI=1S/C16H20ClN5O/c1-23-13-8-7-10(17)9-12(13)14-20-15(18)22-16(21-14)19-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H3,18,19,20,21,22)
InChIKeyPPAWWNLXCKGWES-UHFFFAOYSA-N
XLogP3.53
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-Chloro-2-ethoxy-phenyl)-N-(4-chloro-phenyl)-[1,3,5]triazine-2,4-diamine
CID 10110036
6-(5-Chloro-2-methoxy-phenyl)-N-(4-chloro-phenyl)-[1,3,5]triazine-2,4-diamine
CID 10269990
2-[4-Amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 826985
6-(5-chloro-2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 826988
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N,N-dipropylamine
CID 826994
2-[4-Amino-6-(butylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 1827381
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N-ethylamine
CID 826995
6-(5-chloro-2-methoxyphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 1827385
4-(5-Chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645158
6-[4-(4-Chloro-2-methyl-phenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127036399
6-[4-[(3-Chlorophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
CID 129906767
6-(5-Chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 827431

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine (CID 826987) is 6-(5-chloro-2-methoxyphenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine is COc1ccc(Cl)cc1-c1nc(N)nc(NC2CCCCC2)n1.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PPAWWNLXCKGWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-23-13-8-7-10(17)9-12(13)14-20-15(18)22-16(21-14)19-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
6-(5-chloro-2-methoxyphenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine has a molecular weight of 333.82 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 826987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).