6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine

C13H23N5 — CID 112746281

IUPAC6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C13H23N5/c1-6-9-16-10(14)18-11(17-9)15-7-8-12(2,3)13(8,4)5/h8H,6-7H2,1-5H3,(H3,14,15,16,17,18)
InChIKeyDDEVSGYQYSNYGZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.11
Rot. Bonds4

About 6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine

6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 112746281) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID112746281
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C13H23N5/c1-6-9-16-10(14)18-11(17-9)15-7-8-12(2,3)13(8,4)5/h8H,6-7H2,1-5H3,(H3,14,15,16,17,18)
InChIKeyDDEVSGYQYSNYGZ-UHFFFAOYSA-N
XLogP2.11
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine (CID 112746281) is 6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine is CCc1nc(N)nc(NCC2C(C)(C)C2(C)C)n1.
What is the InChIKey of 6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DDEVSGYQYSNYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-6-9-16-10(14)18-11(17-9)15-7-8-12(2,3)13(8,4)5/h8H,6-7H2,1-5H3,(H3,14,15,16,17,18).
What are the key properties of 6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine?
6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).