4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine

C13H15ClN4O — CID 55124573

IUPAC4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2cccc(C)c2)n1
InChIInChI=1S/C13H15ClN4O/c1-3-7-19-13-17-11(14)16-12(18-13)15-10-6-4-5-9(2)8-10/h4-6,8H,3,7H2,1-2H3,(H,15,16,17,18)
InChIKeyWKIVNFXBVDYYGF-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.37
Rot. Bonds5

About 4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 55124573) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID55124573
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2cccc(C)c2)n1
InChIInChI=1S/C13H15ClN4O/c1-3-7-19-13-17-11(14)16-12(18-13)15-10-6-4-5-9(2)8-10/h4-6,8H,3,7H2,1-2H3,(H,15,16,17,18)
InChIKeyWKIVNFXBVDYYGF-UHFFFAOYSA-N
XLogP3.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
Stk064997
CID 778562
6-(Chloromethyl)-N~2~-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 936364
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
4,6-Dichloro-N-(4-(1-methylethyl)phenyl)-1,3,5-triazin-2-amine
CID 3121122
N-methyl-N'-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 2266465
2-[[4-(3-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 3146158
N2,N2-dimethyl-N4-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
CID 71584599
(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 784146
(4,6-Diethoxy-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 1158964
2-[4-Chloro-6-(4-isopropyl-phenylamino)-[1,3,5]triazin-2-ylamino]-ethanol
CID 3129759
4,6-diethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35025

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine (CID 55124573) is 4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(Nc2cccc(C)c2)n1.
What is the InChIKey of 4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is WKIVNFXBVDYYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-3-7-19-13-17-11(14)16-12(18-13)15-10-6-4-5-9(2)8-10/h4-6,8H,3,7H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 278.74 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).