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

C8H14N2 — CID 58724385

IUPAC2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine
SMILESC1=CC2CCNCN2CC1
InChIInChI=1S/C8H14N2/c1-2-6-10-7-9-5-4-8(10)3-1/h1,3,8-9H,2,4-7H2
InChIKeyAJJOVKWEHNAVLF-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.57
Rot. Bonds

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

2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine (PubChem CID 58724385) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine.

Molecular Properties

Compound Name2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine
PubChem CID58724385
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine
SMILESC1=CC2CCNCN2CC1
InChIInChI=1S/C8H14N2/c1-2-6-10-7-9-5-4-8(10)3-1/h1,3,8-9H,2,4-7H2
InChIKeyAJJOVKWEHNAVLF-UHFFFAOYSA-N
XLogP0.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine?
The IUPAC name of 2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine (CID 58724385) is 2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine.
What is the SMILES notation for 2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine?
The canonical SMILES for 2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine is C1=CC2CCNCN2CC1.
What is the InChIKey of 2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine?
The InChIKey is AJJOVKWEHNAVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-6-10-7-9-5-4-8(10)3-1/h1,3,8-9H,2,4-7H2.
What are the key properties of 2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine?
2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine has a molecular weight of 138.21 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine is sourced from PubChem (CID 58724385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).