5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine

C10H19N5O2 — CID 154257451

IUPAC5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine
SMILESCCOC(Cc1c(N)nc(N)nc1N)OCC
InChIInChI=1S/C10H19N5O2/c1-3-16-7(17-4-2)5-6-8(11)14-10(13)15-9(6)12/h7H,3-5H2,1-2H3,(H6,11,12,13,14,15)
InChIKeySSWARENILFGCMY-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.16
Rot. Bonds6

About 5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine

5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine (PubChem CID 154257451) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine
PubChem CID154257451
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine
SMILESCCOC(Cc1c(N)nc(N)nc1N)OCC
InChIInChI=1S/C10H19N5O2/c1-3-16-7(17-4-2)5-6-8(11)14-10(13)15-9(6)12/h7H,3-5H2,1-2H3,(H6,11,12,13,14,15)
InChIKeySSWARENILFGCMY-UHFFFAOYSA-N
XLogP0.16
TPSA122.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine (CID 154257451) is 5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine is CCOC(Cc1c(N)nc(N)nc1N)OCC.
What is the InChIKey of 5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine?
The InChIKey is SSWARENILFGCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-3-16-7(17-4-2)5-6-8(11)14-10(13)15-9(6)12/h7H,3-5H2,1-2H3,(H6,11,12,13,14,15).
What are the key properties of 5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine?
5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine has a molecular weight of 241.29 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diethoxyethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 154257451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).