2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine

C12H19N3 — CID 67554552

IUPAC2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine
SMILESC=C1C(CCN)=C(C)N=C2CCCCN12
InChIInChI=1S/C12H19N3/c1-9-11(6-7-13)10(2)15-8-4-3-5-12(15)14-9/h2-8,13H2,1H3
InChIKeyXOBWFWQDFJHAGF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.02
Rot. Bonds2

About 2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine

2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine (PubChem CID 67554552) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine
PubChem CID67554552
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine
SMILESC=C1C(CCN)=C(C)N=C2CCCCN12
InChIInChI=1S/C12H19N3/c1-9-11(6-7-13)10(2)15-8-4-3-5-12(15)14-9/h2-8,13H2,1H3
InChIKeyXOBWFWQDFJHAGF-UHFFFAOYSA-N
XLogP2.02
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine?
The IUPAC name of 2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine (CID 67554552) is 2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine is C=C1C(CCN)=C(C)N=C2CCCCN12.
What is the InChIKey of 2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine?
The InChIKey is XOBWFWQDFJHAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-11(6-7-13)10(2)15-8-4-3-5-12(15)14-9/h2-8,13H2,1H3.
What are the key properties of 2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine?
2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine is sourced from PubChem (CID 67554552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).