4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine

C13H14N4 — CID 65420466

IUPAC4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine
SMILESCC1CC1c1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C13H14N4/c1-8-7-10(8)12-15-11(16-13(14)17-12)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H2,14,15,16,17)
InChIKeyTVSGPKRYCUCFEE-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.24
Rot. Bonds2

About 4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine

4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 65420466) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine
PubChem CID65420466
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine
SMILESCC1CC1c1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C13H14N4/c1-8-7-10(8)12-15-11(16-13(14)17-12)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H2,14,15,16,17)
InChIKeyTVSGPKRYCUCFEE-UHFFFAOYSA-N
XLogP2.24
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine (CID 65420466) is 4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine is CC1CC1c1nc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is TVSGPKRYCUCFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-8-7-10(8)12-15-11(16-13(14)17-12)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine?
4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 226.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylcyclopropyl)-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 65420466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).