1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine

C12H21N3O — CID 116731235

IUPAC1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCCOC(c1ncc(CNC)cn1)C(C)C
InChIInChI=1S/C12H21N3O/c1-5-16-11(9(2)3)12-14-7-10(6-13-4)8-15-12/h7-9,11,13H,5-6H2,1-4H3
InChIKeyDOVVSZNHBVOAPW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.93
Rot. Bonds6

About 1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine

1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 116731235) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID116731235
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCCOC(c1ncc(CNC)cn1)C(C)C
InChIInChI=1S/C12H21N3O/c1-5-16-11(9(2)3)12-14-7-10(6-13-4)8-15-12/h7-9,11,13H,5-6H2,1-4H3
InChIKeyDOVVSZNHBVOAPW-UHFFFAOYSA-N
XLogP1.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine (CID 116731235) is 1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine is CCOC(c1ncc(CNC)cn1)C(C)C.
What is the InChIKey of 1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is DOVVSZNHBVOAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-16-11(9(2)3)12-14-7-10(6-13-4)8-15-12/h7-9,11,13H,5-6H2,1-4H3.
What are the key properties of 1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine?
1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 116731235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).