(4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine

C9H15N3O — CID 82408365

IUPAC(4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine
SMILESCCc1nc(C)nc(OC)c1CN
InChIInChI=1S/C9H15N3O/c1-4-8-7(5-10)9(13-3)12-6(2)11-8/h4-5,10H2,1-3H3
InChIKeyBUIKQDREIIXHGX-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.81
Rot. Bonds3

About (4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine

(4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine (PubChem CID 82408365) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound Name(4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine
PubChem CID82408365
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine
SMILESCCc1nc(C)nc(OC)c1CN
InChIInChI=1S/C9H15N3O/c1-4-8-7(5-10)9(13-3)12-6(2)11-8/h4-5,10H2,1-3H3
InChIKeyBUIKQDREIIXHGX-UHFFFAOYSA-N
XLogP0.81
TPSA61.03 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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine?
The IUPAC name of (4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine (CID 82408365) is (4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine.
What is the SMILES notation for (4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine?
The canonical SMILES for (4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine is CCc1nc(C)nc(OC)c1CN.
What is the InChIKey of (4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine?
The InChIKey is BUIKQDREIIXHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-8-7(5-10)9(13-3)12-6(2)11-8/h4-5,10H2,1-3H3.
What are the key properties of (4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine?
(4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 82408365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).