2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one

C16H20N2O — CID 70520307

IUPAC2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one
SMILESC=CCc1cccn2c(=O)cc(CCCCC)nc12
InChIInChI=1S/C16H20N2O/c1-3-5-6-10-14-12-15(19)18-11-7-9-13(8-4-2)16(18)17-14/h4,7,9,11-12H,2-3,5-6,8,10H2,1H3
InChIKeyDZUVSCQDCWAQLO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.16
Rot. Bonds6

About 2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one

2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 70520307) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one
PubChem CID70520307
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one
SMILESC=CCc1cccn2c(=O)cc(CCCCC)nc12
InChIInChI=1S/C16H20N2O/c1-3-5-6-10-14-12-15(19)18-11-7-9-13(8-4-2)16(18)17-14/h4,7,9,11-12H,2-3,5-6,8,10H2,1H3
InChIKeyDZUVSCQDCWAQLO-UHFFFAOYSA-N
XLogP3.16
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4H-Pyrido(1,2-a)pyrimidin-4-one, 3-ethyl-2-methyl-, monohydrochloride
CID 3053744
4H-Pyrido(1,2-a)pyrimidin-4-one, 2,9-dimethyl-3-ethyl-, monohydrochloride
CID 3062164
4H-Pyrido(1,2-a)pyrimidin-4-one, 2-methyl-3-propyl-, monohydrochloride
CID 3053746
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-butyl-2-methyl-, monohydrochloride
CID 3053748
1,8-Diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one;hydrochloride
CID 12485565
11-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one;hydrochloride
CID 12485585
3-Ethyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 23345425
11H-Pyrido[2,1-b]quinazolin-11-one, 1,2,3,4-tetrahydro-6-methyl-
CID 11593726
2H-Pyrido[2,1-b]quinazolin-6-one, 1,3,4,6-tetrahydro
CID 523987
2,3-Dihydro-5-methylcyclopenta[d]pyrido[1,2-a]pyrimidin-10(1H)-one
CID 12354097
2,3-Dihydrocyclopenta(d)pyrido(1,2-a)pyrimidin-10(1H)-one
CID 12485564
2,3-Dihydro-7-methylcyclopenta[d]pyrido[1,2-alpha]pyrimidin-10(1H)-one
CID 12485582

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one (CID 70520307) is 2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one is C=CCc1cccn2c(=O)cc(CCCCC)nc12.
What is the InChIKey of 2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DZUVSCQDCWAQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-5-6-10-14-12-15(19)18-11-7-9-13(8-4-2)16(18)17-14/h4,7,9,11-12H,2-3,5-6,8,10H2,1H3.
What are the key properties of 2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one?
2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 256.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70520307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).