4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine

C10H13N5 — CID 142240124

IUPAC4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1C1(N)N=CNC(N)=N1
InChIInChI=1S/C10H13N5/c1-7-4-2-3-5-8(7)10(12)14-6-13-9(11)15-10/h2-6H,12H2,1H3,(H3,11,13,14,15)
InChIKeyPCDPVZHNWZBKFG-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.01
Rot. Bonds1

About 4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine

4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine (PubChem CID 142240124) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine
PubChem CID142240124
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1C1(N)N=CNC(N)=N1
InChIInChI=1S/C10H13N5/c1-7-4-2-3-5-8(7)10(12)14-6-13-9(11)15-10/h2-6H,12H2,1H3,(H3,11,13,14,15)
InChIKeyPCDPVZHNWZBKFG-UHFFFAOYSA-N
XLogP0.01
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine (CID 142240124) is 4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine is Cc1ccccc1C1(N)N=CNC(N)=N1.
What is the InChIKey of 4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine?
The InChIKey is PCDPVZHNWZBKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-7-4-2-3-5-8(7)10(12)14-6-13-9(11)15-10/h2-6H,12H2,1H3,(H3,11,13,14,15).
What are the key properties of 4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine?
4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 203.25 g/mol, XLogP of 0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 142240124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).