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

C8H15N5O — CID 56611524

IUPAC6-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)OCCc1nc(N)nc(N)n1
InChIInChI=1S/C8H15N5O/c1-5(2)14-4-3-6-11-7(9)13-8(10)12-6/h5H,3-4H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyJBMULNXONZBYEI-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.00
Rot. Bonds4

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

6-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 56611524) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine
PubChem CID56611524
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name6-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)OCCc1nc(N)nc(N)n1
InChIInChI=1S/C8H15N5O/c1-5(2)14-4-3-6-11-7(9)13-8(10)12-6/h5H,3-4H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyJBMULNXONZBYEI-UHFFFAOYSA-N
XLogP0.00
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine (CID 56611524) is 6-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine is CC(C)OCCc1nc(N)nc(N)n1.
What is the InChIKey of 6-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JBMULNXONZBYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5(2)14-4-3-6-11-7(9)13-8(10)12-6/h5H,3-4H2,1-2H3,(H4,9,10,11,12,13).
What are the key properties of 6-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine?
6-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 197.24 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56611524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).