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

C10H13N3O — CID 15760031

IUPAC7-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile
SMILESCC1CC(C#N)=C2NCCCN2C1=O
InChIInChI=1S/C10H13N3O/c1-7-5-8(6-11)9-12-3-2-4-13(9)10(7)14/h7,12H,2-5H2,1H3
InChIKeyFKEHXHOKVCDDOO-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.58
Rot. Bonds

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

7-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile (PubChem CID 15760031) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile.

Molecular Properties

Compound Name7-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile
PubChem CID15760031
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name7-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile
SMILESCC1CC(C#N)=C2NCCCN2C1=O
InChIInChI=1S/C10H13N3O/c1-7-5-8(6-11)9-12-3-2-4-13(9)10(7)14/h7,12H,2-5H2,1H3
InChIKeyFKEHXHOKVCDDOO-UHFFFAOYSA-N
XLogP0.58
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 11218288
4-(3-methyl-2-oxo-1,5-diazocan-1-yl)benzonitrile
CID 117015060
2-(9-nitro-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-7-yl)acetic acid
CID 11368844
3-chloro-4-(2-oxo-1,3-diazinan-1-yl)benzonitrile
CID 66731945
2-methyl-6-(2-oxo-1,3-diazinan-1-yl)benzonitrile
CID 107802145
3-amino-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzonitrile
CID 78965676
2-ethyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile
CID 61121959
1-(3,5-dimethylphenyl)-3-methyl-1,5-diazocan-2-one
CID 117015023
8-(2-methoxyphenyl)-9-nitro-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one
CID 155294760
5-amino-2-(2-methyl-3-oxopiperazin-1-yl)benzonitrile
CID 55215923
6,19,32,45,58,71,84-heptamethyl-2,6,10,15,19,23,28,32,36,41,45,49,54,58,62,67,71,75,80,84,88-henicosazaoctacyclo[87.2.0.011,14.024,27.037,40.050,53.063,66.076,79]hennonaconta-1(89),11(14),24(27),37(40),50(53),63(66),76(79)-heptaene-12,13,25,26,38,39,51,52,64,65,77,78,90,91-tetradecone
CID 71467249
2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]benzonitrile
CID 61238278

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile?
The IUPAC name of 7-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile (CID 15760031) is 7-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile.
What is the SMILES notation for 7-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile?
The canonical SMILES for 7-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile is CC1CC(C#N)=C2NCCCN2C1=O.
What is the InChIKey of 7-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile?
The InChIKey is FKEHXHOKVCDDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-5-8(6-11)9-12-3-2-4-13(9)10(7)14/h7,12H,2-5H2,1H3.
What are the key properties of 7-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile?
7-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile is sourced from PubChem (CID 15760031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).