2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

C8H15N5 — CID 130532627

IUPAC2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C8H15N5/c1-4-10-8-12-6(5(2)3)11-7(9)13-8/h5H,4H2,1-3H3,(H3,9,10,11,12,13)
InChIKeyMSVVILSWAJPYJI-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.01
Rot. Bonds3

About 2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine

2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 130532627) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID130532627
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C8H15N5/c1-4-10-8-12-6(5(2)3)11-7(9)13-8/h5H,4H2,1-3H3,(H3,9,10,11,12,13)
InChIKeyMSVVILSWAJPYJI-UHFFFAOYSA-N
XLogP1.01
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 130532627) is 2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(N)nc(C(C)C)n1.
What is the InChIKey of 2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is MSVVILSWAJPYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-4-10-8-12-6(5(2)3)11-7(9)13-8/h5H,4H2,1-3H3,(H3,9,10,11,12,13).
What are the key properties of 2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 181.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130532627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).