6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine

C9H8ClN5 — CID 20612

IUPAC6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C9H8ClN5/c10-6-3-1-5(2-4-6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
InChIKeyZHMAVICRSKFCFD-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.36
Rot. Bonds1

About 6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine

6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 20612) has the molecular formula C9H8ClN5 and a molecular weight of 221.65 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID20612
Molecular FormulaC9H8ClN5
Molecular Weight221.65 g/mol
Exact Mass221.05
IUPAC Name6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C9H8ClN5/c10-6-3-1-5(2-4-6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
InChIKeyZHMAVICRSKFCFD-UHFFFAOYSA-N
XLogP1.36
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 7064
Irsogladine
CID 3752
6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
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6-(3-Methylphenyl)-1,3,5-triazine-2,4-diamine
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4-(2-Chlorophenyl)-6-(Methylsulfanyl)-1,3,5-Triazin-2-Amine
CID 12571204
2,4-Dichloro-6-phenyl-1,3,5-triazine
CID 15549
2-Chloro-4,6-diphenyl-1,3,5-triazine
CID 19698
2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine
CID 11390103
6-(3-Fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852432
6-(3,4-Dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 34920
4,6-Bis(4-chlorophenyl)-1,3,5-triazin-2-amine
CID 35246
2-(4-Chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
CID 25217643

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine (CID 20612) is 6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZHMAVICRSKFCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5/c10-6-3-1-5(2-4-6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15).
What are the key properties of 6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine?
6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 221.65 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).