9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine

C8H10N2 — CID 118369228

IUPAC9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine
SMILESC1=CN2CC=CCC2N=C1
InChIInChI=1S/C8H10N2/c1-2-6-10-7-3-5-9-8(10)4-1/h1-3,5,7-8H,4,6H2
InChIKeyNJNKGEHGYMRDQY-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.17
Rot. Bonds

About 9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine

9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine (PubChem CID 118369228) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine
PubChem CID118369228
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine
SMILESC1=CN2CC=CCC2N=C1
InChIInChI=1S/C8H10N2/c1-2-6-10-7-3-5-9-8(10)4-1/h1-3,5,7-8H,4,6H2
InChIKeyNJNKGEHGYMRDQY-UHFFFAOYSA-N
XLogP1.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
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 9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine (CID 118369228) is 9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine is C1=CN2CC=CCC2N=C1.
What is the InChIKey of 9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine?
The InChIKey is NJNKGEHGYMRDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-6-10-7-3-5-9-8(10)4-1/h1-3,5,7-8H,4,6H2.
What are the key properties of 9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine?
9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine has a molecular weight of 134.18 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9a-dihydro-6H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 118369228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).