6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine

C11H19N5O — CID 80771268

IUPAC6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCC2CCCO2)nc(N)n1
InChIInChI=1S/C11H19N5O/c1-2-13-9-6-10(16-11(12)15-9)14-7-8-4-3-5-17-8/h6,8H,2-5,7H2,1H3,(H4,12,13,14,15,16)
InChIKeyZQXQMFZWYHHSEQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.08
Rot. Bonds5

About 6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine (PubChem CID 80771268) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
PubChem CID80771268
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCC2CCCO2)nc(N)n1
InChIInChI=1S/C11H19N5O/c1-2-13-9-6-10(16-11(12)15-9)14-7-8-4-3-5-17-8/h6,8H,2-5,7H2,1H3,(H4,12,13,14,15,16)
InChIKeyZQXQMFZWYHHSEQ-UHFFFAOYSA-N
XLogP1.08
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine (CID 80771268) is 6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine is CCNc1cc(NCC2CCCO2)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine?
The InChIKey is ZQXQMFZWYHHSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-13-9-6-10(16-11(12)15-9)14-7-8-4-3-5-17-8/h6,8H,2-5,7H2,1H3,(H4,12,13,14,15,16).
What are the key properties of 6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine has a molecular weight of 237.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80771268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).