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

C12H13N5 — CID 112681528

IUPAC6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C12H13N5/c13-10-15-9(16-11(14)17-10)12(6-7-12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,13,14,15,16,17)
InChIKeyKPUQKEYRKBUFEW-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.12
Rot. Bonds2

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

6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112681528) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine
PubChem CID112681528
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C12H13N5/c13-10-15-9(16-11(14)17-10)12(6-7-12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,13,14,15,16,17)
InChIKeyKPUQKEYRKBUFEW-UHFFFAOYSA-N
XLogP1.12
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine (CID 112681528) is 6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2(c3ccccc3)CC2)n1.
What is the InChIKey of 6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KPUQKEYRKBUFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-10-15-9(16-11(14)17-10)12(6-7-12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,13,14,15,16,17).
What are the key properties of 6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine?
6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 227.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).