2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine

C8H12N2 — CID 123657629

IUPAC2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine
SMILESC1=CC2CCNCN2C=C1
InChIInChI=1S/C8H12N2/c1-2-6-10-7-9-5-4-8(10)3-1/h1-3,6,8-9H,4-5,7H2
InChIKeyPPYAADMNGBWEGL-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.69
Rot. Bonds

About 2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine

2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine (PubChem CID 123657629) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine.

Molecular Properties

Compound Name2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine
PubChem CID123657629
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine
SMILESC1=CC2CCNCN2C=C1
InChIInChI=1S/C8H12N2/c1-2-6-10-7-9-5-4-8(10)3-1/h1-3,6,8-9H,4-5,7H2
InChIKeyPPYAADMNGBWEGL-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine?
The IUPAC name of 2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine (CID 123657629) is 2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine.
What is the SMILES notation for 2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine?
The canonical SMILES for 2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine is C1=CC2CCNCN2C=C1.
What is the InChIKey of 2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine?
The InChIKey is PPYAADMNGBWEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-6-10-7-9-5-4-8(10)3-1/h1-3,6,8-9H,4-5,7H2.
What are the key properties of 2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine?
2,3,4,4a-tetrahydro-1H-pyrido[1,2-c]pyrimidine has a molecular weight of 136.20 g/mol, XLogP of 0.69, 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-tetrahydro-1H-pyrido[1,2-c]pyrimidine is sourced from PubChem (CID 123657629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).