4H-pyrido[1,2-a]pyrimidine-2-carbonitrile

C9H7N3 — CID 146019751

IUPAC4H-pyrido[1,2-a]pyrimidine-2-carbonitrile
SMILESN#CC1=CCN2C=CC=CC2=N1
InChIInChI=1S/C9H7N3/c10-7-8-4-6-12-5-2-1-3-9(12)11-8/h1-5H,6H2
InChIKeyKWUHOYYDWKNYAM-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.19
Rot. Bonds

About 4H-pyrido[1,2-a]pyrimidine-2-carbonitrile

4H-pyrido[1,2-a]pyrimidine-2-carbonitrile (PubChem CID 146019751) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 4H-pyrido[1,2-a]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4H-pyrido[1,2-a]pyrimidine-2-carbonitrile
PubChem CID146019751
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name4H-pyrido[1,2-a]pyrimidine-2-carbonitrile
SMILESN#CC1=CCN2C=CC=CC2=N1
InChIInChI=1S/C9H7N3/c10-7-8-4-6-12-5-2-1-3-9(12)11-8/h1-5H,6H2
InChIKeyKWUHOYYDWKNYAM-UHFFFAOYSA-N
XLogP1.19
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6,13-Triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
CID 12404659
Pyrido[1,2-a]pyrimidine
CID 20094215
2,13-Diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
CID 135082283
Pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 142662086
2-ethynyl-7-fluoro-4H-pyrido[1,2-a]pyrimidine
CID 152485585
7-fluoro-4H-pyrido[1,2-a]pyrimidine
CID 169220442
2,6,13-Triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene-4-carbonitrile
CID 12345222
2-methyl-4-methylidene-3H-pyrido[1,2-a]pyrimidin-3-ide;yttrium
CID 58148024
2-Methyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 58148025
1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+)
CID 58625024
CID 89045752
CID 89045752
6-methyl-4H-pyrido[1,2-a]pyrimidine
CID 89183225

Frequently Asked Questions

What is the IUPAC name of 4H-pyrido[1,2-a]pyrimidine-2-carbonitrile?
The IUPAC name of 4H-pyrido[1,2-a]pyrimidine-2-carbonitrile (CID 146019751) is 4H-pyrido[1,2-a]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4H-pyrido[1,2-a]pyrimidine-2-carbonitrile?
The canonical SMILES for 4H-pyrido[1,2-a]pyrimidine-2-carbonitrile is N#CC1=CCN2C=CC=CC2=N1.
What is the InChIKey of 4H-pyrido[1,2-a]pyrimidine-2-carbonitrile?
The InChIKey is KWUHOYYDWKNYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c10-7-8-4-6-12-5-2-1-3-9(12)11-8/h1-5H,6H2.
What are the key properties of 4H-pyrido[1,2-a]pyrimidine-2-carbonitrile?
4H-pyrido[1,2-a]pyrimidine-2-carbonitrile has a molecular weight of 157.18 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[1,2-a]pyrimidine-2-carbonitrile is sourced from PubChem (CID 146019751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).