2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one

C15H14N4O — CID 123783493

IUPAC2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESC#CC/N=C/c1c(NCC=C)nc2ccccn2c1=O
InChIInChI=1S/C15H14N4O/c1-3-8-16-11-12-14(17-9-4-2)18-13-7-5-6-10-19(13)15(12)20/h1,4-7,10-11,17H,2,8-9H2/b16-11+
InChIKeyJDMNSXBYBFTCHK-LFIBNONCSA-N
MW266.30 g/mol
LogP1.34
Rot. Bonds5

About 2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one

2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 123783493) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID123783493
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESC#CC/N=C/c1c(NCC=C)nc2ccccn2c1=O
InChIInChI=1S/C15H14N4O/c1-3-8-16-11-12-14(17-9-4-2)18-13-7-5-6-10-19(13)15(12)20/h1,4-7,10-11,17H,2,8-9H2/b16-11+
InChIKeyJDMNSXBYBFTCHK-LFIBNONCSA-N
XLogP1.34
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 53353889
3-ethyl-5-[[4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3146795
5-[[4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3831160
2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 22299398
2-(dibenzylamino)-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 177415618
2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 1159853
3-[(E)-hydroxyiminomethyl]-2-[3-(trifluoromethyl)anilino]pyrido[1,2-a]pyrimidin-4-one
CID 135514246
2-anilino-3-[(4-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 1159741
2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-N-prop-2-enylacetamide
CID 133463556
2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357371
5-[[2-(2-methoxyethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2912014
5-[[4-oxo-2-(pentylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3377568

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one (CID 123783493) is 2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one is C#CC/N=C/c1c(NCC=C)nc2ccccn2c1=O.
What is the InChIKey of 2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JDMNSXBYBFTCHK-LFIBNONCSA-N. The full InChI is InChI=1S/C15H14N4O/c1-3-8-16-11-12-14(17-9-4-2)18-13-7-5-6-10-19(13)15(12)20/h1,4-7,10-11,17H,2,8-9H2/b16-11+.
What are the key properties of 2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 266.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123783493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).