1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine

C9H15N3O — CID 82654656

IUPAC1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine
SMILESCCc1ncnc(CNC)c1OC
InChIInChI=1S/C9H15N3O/c1-4-7-9(13-3)8(5-10-2)12-6-11-7/h6,10H,4-5H2,1-3H3
InChIKeyTVNUAHKPHGTLMT-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.77
Rot. Bonds4

About 1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine

1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine (PubChem CID 82654656) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine
PubChem CID82654656
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine
SMILESCCc1ncnc(CNC)c1OC
InChIInChI=1S/C9H15N3O/c1-4-7-9(13-3)8(5-10-2)12-6-11-7/h6,10H,4-5H2,1-3H3
InChIKeyTVNUAHKPHGTLMT-UHFFFAOYSA-N
XLogP0.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine (CID 82654656) is 1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine is CCc1ncnc(CNC)c1OC.
What is the InChIKey of 1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine?
The InChIKey is TVNUAHKPHGTLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-7-9(13-3)8(5-10-2)12-6-11-7/h6,10H,4-5H2,1-3H3.
What are the key properties of 1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine?
1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine has a molecular weight of 181.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 82654656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).