2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine

C12H13Cl2N5O — CID 80846906

IUPAC2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C12H13Cl2N5O/c1-2-6-20-12-18-10(15)17-11(19-12)16-9-7(13)4-3-5-8(9)14/h3-5H,2,6H2,1H3,(H3,15,16,17,18,19)
InChIKeyDISTTWKIJWTIBI-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.29
Rot. Bonds5

About 2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80846906) has the molecular formula C12H13Cl2N5O and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80846906
Molecular FormulaC12H13Cl2N5O
Molecular Weight314.18 g/mol
Exact Mass313.05
IUPAC Name2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C12H13Cl2N5O/c1-2-6-20-12-18-10(15)17-11(19-12)16-9-7(13)4-3-5-8(9)14/h3-5H,2,6H2,1H3,(H3,15,16,17,18,19)
InChIKeyDISTTWKIJWTIBI-UHFFFAOYSA-N
XLogP3.29
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-bromo-2,3-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 107794817
2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80760788
2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 82803713
N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931014
6-propoxy-2-N-(2,3,4-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80748779
2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80763432
N-(2-bromo-3-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 103481042
2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839761
2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343
2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80790129
4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80847427
2-N-(2,3-dichlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80755049

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80846906) is 2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is DISTTWKIJWTIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5O/c1-2-6-20-12-18-10(15)17-11(19-12)16-9-7(13)4-3-5-8(9)14/h3-5H,2,6H2,1H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 314.18 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80846906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).