2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C11H19N5O — CID 80847314

IUPAC2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCCC2CC2)n1
InChIInChI=1S/C11H19N5O/c1-7(2)17-11-15-9(12)14-10(16-11)13-6-5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyGILGETOBBKHGPJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.45
Rot. Bonds6

About 2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80847314) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80847314
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCCC2CC2)n1
InChIInChI=1S/C11H19N5O/c1-7(2)17-11-15-9(12)14-10(16-11)13-6-5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyGILGETOBBKHGPJ-UHFFFAOYSA-N
XLogP1.45
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80847314) is 2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(NCCC2CC2)n1.
What is the InChIKey of 2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is GILGETOBBKHGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7(2)17-11-15-9(12)14-10(16-11)13-6-5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 237.31 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80847314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).