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

C11H18N2 — CID 67796859

IUPAC3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine
SMILESCCC1=C(C)N=C2CCCCN2C1
InChIInChI=1S/C11H18N2/c1-3-10-8-13-7-5-4-6-11(13)12-9(10)2/h3-8H2,1-2H3
InChIKeyFYSWQPHLJADVCH-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.57
Rot. Bonds1

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

3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine (PubChem CID 67796859) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine
PubChem CID67796859
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine
SMILESCCC1=C(C)N=C2CCCCN2C1
InChIInChI=1S/C11H18N2/c1-3-10-8-13-7-5-4-6-11(13)12-9(10)2/h3-8H2,1-2H3
InChIKeyFYSWQPHLJADVCH-UHFFFAOYSA-N
XLogP2.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine (CID 67796859) is 3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine is CCC1=C(C)N=C2CCCCN2C1.
What is the InChIKey of 3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is FYSWQPHLJADVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-10-8-13-7-5-4-6-11(13)12-9(10)2/h3-8H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine?
3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 67796859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).