5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine

C9H15N3O — CID 45059041

IUPAC5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine
SMILESCCc1c(C)nc(NC)nc1OC
InChIInChI=1S/C9H15N3O/c1-5-7-6(2)11-9(10-3)12-8(7)13-4/h5H2,1-4H3,(H,10,11,12)
InChIKeyJCSPMARRNGTFMN-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.40
Rot. Bonds3

About 5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine

5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine (PubChem CID 45059041) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine
PubChem CID45059041
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine
SMILESCCc1c(C)nc(NC)nc1OC
InChIInChI=1S/C9H15N3O/c1-5-7-6(2)11-9(10-3)12-8(7)13-4/h5H2,1-4H3,(H,10,11,12)
InChIKeyJCSPMARRNGTFMN-UHFFFAOYSA-N
XLogP1.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine (CID 45059041) is 5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine is CCc1c(C)nc(NC)nc1OC.
What is the InChIKey of 5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine?
The InChIKey is JCSPMARRNGTFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5-7-6(2)11-9(10-3)12-8(7)13-4/h5H2,1-4H3,(H,10,11,12).
What are the key properties of 5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine?
5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methoxy-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 45059041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).