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

C12H13ClN4O — CID 62859043

IUPAC4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C12H13ClN4O/c1-3-18-12-16-10(13)15-11(17-12)14-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,14,15,16,17)
InChIKeyTYJZOIBKIRWAMD-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.98
Rot. Bonds4

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

4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 62859043) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID62859043
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C12H13ClN4O/c1-3-18-12-16-10(13)15-11(17-12)14-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,14,15,16,17)
InChIKeyTYJZOIBKIRWAMD-UHFFFAOYSA-N
XLogP2.98
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692
4-chloro-6-ethoxy-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62858032
6-ethoxy-4-N-ethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762181
4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62868487
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 107576870
4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62868653
4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 55221743
4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858365
6-chloro-2-N-(4-ethoxyphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768213
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 81275542
4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 686003

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine (CID 62859043) is 4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is TYJZOIBKIRWAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-3-18-12-16-10(13)15-11(17-12)14-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 264.72 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).