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

C11H20N2 — CID 141370158

IUPAC9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
SMILESCCCC1CCCN2CCCN=C12
InChIInChI=1S/C11H20N2/c1-2-5-10-6-3-8-13-9-4-7-12-11(10)13/h10H,2-9H2,1H3
InChIKeyFFMHMLIYAYWCEV-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.30
Rot. Bonds2

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

9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine (PubChem CID 141370158) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
PubChem CID141370158
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
SMILESCCCC1CCCN2CCCN=C12
InChIInChI=1S/C11H20N2/c1-2-5-10-6-3-8-13-9-4-7-12-11(10)13/h10H,2-9H2,1H3
InChIKeyFFMHMLIYAYWCEV-UHFFFAOYSA-N
XLogP2.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine (CID 141370158) is 9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine is CCCC1CCCN2CCCN=C12.
What is the InChIKey of 9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The InChIKey is FFMHMLIYAYWCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-5-10-6-3-8-13-9-4-7-12-11(10)13/h10H,2-9H2,1H3.
What are the key properties of 9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine has a molecular weight of 180.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 141370158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).