2,4,6-trimethoxypyrimidin-5-amine

C7H11N3O3 — CID 14595821

IUPAC2,4,6-trimethoxypyrimidin-5-amine
SMILESCOc1nc(OC)c(N)c(OC)n1
InChIInChI=1S/C7H11N3O3/c1-11-5-4(8)6(12-2)10-7(9-5)13-3/h8H2,1-3H3
InChIKeyOGKCPJNRQBTBPF-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.08
Rot. Bonds3

About 2,4,6-trimethoxypyrimidin-5-amine

2,4,6-trimethoxypyrimidin-5-amine (PubChem CID 14595821) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2,4,6-trimethoxypyrimidin-5-amine.

Molecular Properties

Compound Name2,4,6-trimethoxypyrimidin-5-amine
PubChem CID14595821
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2,4,6-trimethoxypyrimidin-5-amine
SMILESCOc1nc(OC)c(N)c(OC)n1
InChIInChI=1S/C7H11N3O3/c1-11-5-4(8)6(12-2)10-7(9-5)13-3/h8H2,1-3H3
InChIKeyOGKCPJNRQBTBPF-UHFFFAOYSA-N
XLogP0.08
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxypyrimidin-5-amine?
The IUPAC name of 2,4,6-trimethoxypyrimidin-5-amine (CID 14595821) is 2,4,6-trimethoxypyrimidin-5-amine.
What is the SMILES notation for 2,4,6-trimethoxypyrimidin-5-amine?
The canonical SMILES for 2,4,6-trimethoxypyrimidin-5-amine is COc1nc(OC)c(N)c(OC)n1.
What is the InChIKey of 2,4,6-trimethoxypyrimidin-5-amine?
The InChIKey is OGKCPJNRQBTBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-11-5-4(8)6(12-2)10-7(9-5)13-3/h8H2,1-3H3.
What are the key properties of 2,4,6-trimethoxypyrimidin-5-amine?
2,4,6-trimethoxypyrimidin-5-amine has a molecular weight of 185.18 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxypyrimidin-5-amine is sourced from PubChem (CID 14595821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).