ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile

C15H21N3O — CID 144970394

IUPACethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
SMILESCC.CC.CCc1cc(=O)n2cc(C#N)ccc2n1
InChIInChI=1S/C11H9N3O.2C2H6/c1-2-9-5-11(15)14-7-8(6-12)3-4-10(14)13-9;2*1-2/h3-5,7H,2H2,1H3;2*1-2H3
InChIKeyZSIPARHPUCMXBQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.18
Rot. Bonds1

About ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile

ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile (PubChem CID 144970394) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Nameethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
PubChem CID144970394
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Nameethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
SMILESCC.CC.CCc1cc(=O)n2cc(C#N)ccc2n1
InChIInChI=1S/C11H9N3O.2C2H6/c1-2-9-5-11(15)14-7-8(6-12)3-4-10(14)13-9;2*1-2/h3-5,7H,2H2,1H3;2*1-2H3
InChIKeyZSIPARHPUCMXBQ-UHFFFAOYSA-N
XLogP3.18
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 142656814
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 150974917
2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile
CID 51098372
methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 149299841
4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]benzonitrile
CID 60672959
5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile
CID 24618847
2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 130201657
2,3-dibromoimidazo[1,2-a]pyridine-6-carbonitrile
CID 126524032
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 16769119
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile?
The IUPAC name of ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile (CID 144970394) is ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile.
What is the SMILES notation for ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile?
The canonical SMILES for ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile is CC.CC.CCc1cc(=O)n2cc(C#N)ccc2n1.
What is the InChIKey of ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile?
The InChIKey is ZSIPARHPUCMXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O.2C2H6/c1-2-9-5-11(15)14-7-8(6-12)3-4-10(14)13-9;2*1-2/h3-5,7H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile?
ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile is sourced from PubChem (CID 144970394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).