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

C16H22ClN5O — CID 826994

IUPAC6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(N)nc(-c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C16H22ClN5O/c1-4-8-22(9-5-2)16-20-14(19-15(18)21-16)12-10-11(17)6-7-13(12)23-3/h6-7,10H,4-5,8-9H2,1-3H3,(H2,18,19,20,21)
InChIKeyQPNWPFVICLCAAX-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.41
Rot. Bonds7

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

6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (PubChem CID 826994) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
PubChem CID826994
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(N)nc(-c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C16H22ClN5O/c1-4-8-22(9-5-2)16-20-14(19-15(18)21-16)12-10-11(17)6-7-13(12)23-3/h6-7,10H,4-5,8-9H2,1-3H3,(H2,18,19,20,21)
InChIKeyQPNWPFVICLCAAX-UHFFFAOYSA-N
XLogP3.41
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-Methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 667613
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
2-[4-Amino-6-(butylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 1827381
6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine
CID 2725924
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N-cyclohexylamine
CID 826987
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
[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-dipropyl-amine
CID 11438679
4-(3-Chloro-4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645157
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

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (CID 826994) is 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is CCCN(CCC)c1nc(N)nc(-c2cc(Cl)ccc2OC)n1.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QPNWPFVICLCAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O/c1-4-8-22(9-5-2)16-20-14(19-15(18)21-16)12-10-11(17)6-7-13(12)23-3/h6-7,10H,4-5,8-9H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine has a molecular weight of 335.84 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 826994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).