6-phenyl-1,3,5-triazine-2,4-diamine

C9H9N5 — CID 7064

IUPAC6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
InChIKeyGZVHEAJQGPRDLQ-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.70
Rot. Bonds1

About 6-phenyl-1,3,5-triazine-2,4-diamine

6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 7064) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID7064
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
InChIKeyGZVHEAJQGPRDLQ-UHFFFAOYSA-N
XLogP0.70
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Irsogladine
CID 3752
6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 97399
Kyaphenine
CID 10305
6-(3-Methylphenyl)-1,3,5-triazine-2,4-diamine
CID 273487
1,3,5-Triazine-2,4-diamine, 6-phenyl-N,N,N',N'-tetramethyl-
CID 150777
2-Methyl-4,6-diphenyl-1,3,5-triazine
CID 19196
1,3,5-Triazine-2,4-diamine, 6-(4-tert-butylphenyl)-
CID 615135
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
4-(Ethylthio)-6-phenyl-1,3,5-triazin-2-amine
CID 44420099

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-phenyl-1,3,5-triazine-2,4-diamine (CID 7064) is 6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-phenyl-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GZVHEAJQGPRDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14).
What are the key properties of 6-phenyl-1,3,5-triazine-2,4-diamine?
6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 187.21 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 7064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).