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

C13H15ClN4O — CID 115504311

IUPAC4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(-c2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C13H15ClN4O/c1-4-15-12-16-11(17-13(18-12)19-3)9-6-5-8(2)10(14)7-9/h5-7H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyUFJZIYDUMMJRBR-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.94
Rot. Bonds4

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

4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 115504311) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID115504311
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(-c2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C13H15ClN4O/c1-4-15-12-16-11(17-13(18-12)19-3)9-6-5-8(2)10(14)7-9/h5-7H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyUFJZIYDUMMJRBR-UHFFFAOYSA-N
XLogP2.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (CID 115504311) is 4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(-c2ccc(C)c(Cl)c2)n1.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is UFJZIYDUMMJRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-4-15-12-16-11(17-13(18-12)19-3)9-6-5-8(2)10(14)7-9/h5-7H,4H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 278.74 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 115504311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).