1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine

C12H22N2 — CID 143131385

IUPAC1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine
SMILESCCC(C)C1=NCCC2CCCCN12
InChIInChI=1S/C12H22N2/c1-3-10(2)12-13-8-7-11-6-4-5-9-14(11)12/h10-11H,3-9H2,1-2H3
InChIKeyWEICVIYCKBLQFL-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.69
Rot. Bonds2

About 1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine

1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine (PubChem CID 143131385) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine.

Molecular Properties

Compound Name1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine
PubChem CID143131385
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine
SMILESCCC(C)C1=NCCC2CCCCN12
InChIInChI=1S/C12H22N2/c1-3-10(2)12-13-8-7-11-6-4-5-9-14(11)12/h10-11H,3-9H2,1-2H3
InChIKeyWEICVIYCKBLQFL-UHFFFAOYSA-N
XLogP2.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine?
The IUPAC name of 1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine (CID 143131385) is 1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine.
What is the SMILES notation for 1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine?
The canonical SMILES for 1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine is CCC(C)C1=NCCC2CCCCN12.
What is the InChIKey of 1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine?
The InChIKey is WEICVIYCKBLQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-10(2)12-13-8-7-11-6-4-5-9-14(11)12/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine?
1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine has a molecular weight of 194.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine is sourced from PubChem (CID 143131385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).