6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile

C10H11N3O — CID 12762253

IUPAC6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCC1CCCc2ncc(C#N)c(=O)n21
InChIInChI=1S/C10H11N3O/c1-7-3-2-4-9-12-6-8(5-11)10(14)13(7)9/h6-7H,2-4H2,1H3
InChIKeySOOUCPJOADTGKM-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.01
Rot. Bonds

About 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile

6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 12762253) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile
PubChem CID12762253
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCC1CCCc2ncc(C#N)c(=O)n21
InChIInChI=1S/C10H11N3O/c1-7-3-2-4-9-12-6-8(5-11)10(14)13(7)9/h6-7H,2-4H2,1H3
InChIKeySOOUCPJOADTGKM-UHFFFAOYSA-N
XLogP1.01
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile (CID 12762253) is 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile is CC1CCCc2ncc(C#N)c(=O)n21.
What is the InChIKey of 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is SOOUCPJOADTGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-3-2-4-9-12-6-8(5-11)10(14)13(7)9/h6-7H,2-4H2,1H3.
What are the key properties of 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile?
6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 12762253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).