9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine

C10H18N2 — CID 141370151

IUPAC9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
SMILESCCC1CCCN2CCCN=C12
InChIInChI=1S/C10H18N2/c1-2-9-5-3-7-12-8-4-6-11-10(9)12/h9H,2-8H2,1H3
InChIKeySCDRRMYHNFXIAJ-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.91
Rot. Bonds1

About 9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine

9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine (PubChem CID 141370151) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
PubChem CID141370151
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
SMILESCCC1CCCN2CCCN=C12
InChIInChI=1S/C10H18N2/c1-2-9-5-3-7-12-8-4-6-11-10(9)12/h9H,2-8H2,1H3
InChIKeySCDRRMYHNFXIAJ-UHFFFAOYSA-N
XLogP1.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine (CID 141370151) is 9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine is CCC1CCCN2CCCN=C12.
What is the InChIKey of 9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The InChIKey is SCDRRMYHNFXIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-9-5-3-7-12-8-4-6-11-10(9)12/h9H,2-8H2,1H3.
What are the key properties of 9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine has a molecular weight of 166.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 141370151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).