4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine

C10H9ClN4 — CID 12798609

IUPAC4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H9ClN4/c1-6-13-9(15-10(12)14-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13,14,15)
InChIKeySQBXMQFYCVMTKI-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.08
Rot. Bonds1

About 4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine

4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine (PubChem CID 12798609) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine
PubChem CID12798609
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H9ClN4/c1-6-13-9(15-10(12)14-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13,14,15)
InChIKeySQBXMQFYCVMTKI-UHFFFAOYSA-N
XLogP2.08
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine (CID 12798609) is 4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is SQBXMQFYCVMTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4/c1-6-13-9(15-10(12)14-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13,14,15).
What are the key properties of 4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine?
4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 220.66 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 12798609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).