1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C19H19N5O4 — CID 46583586

IUPAC1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(=O)n3cccc(C)c3n2)c1=O
InChIInChI=1S/C19H19N5O4/c1-4-8-22-17(26)23(9-5-2)19(28)24(18(22)27)12-14-11-15(25)21-10-6-7-13(3)16(21)20-14/h4-7,10-11H,1-2,8-9,12H2,3H3
InChIKeyGCQDFNSIAUNISN-UHFFFAOYSA-N
MW381.39 g/mol
LogP-0.09
Rot. Bonds6

About 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 46583586) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID46583586
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(=O)n3cccc(C)c3n2)c1=O
InChIInChI=1S/C19H19N5O4/c1-4-8-22-17(26)23(9-5-2)19(28)24(18(22)27)12-14-11-15(25)21-10-6-7-13(3)16(21)20-14/h4-7,10-11H,1-2,8-9,12H2,3H3
InChIKeyGCQDFNSIAUNISN-UHFFFAOYSA-N
XLogP-0.09
TPSA100.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione with MolForge

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Related Compounds

2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990
2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79270180
9-methyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46631682
2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119924132
2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 46807523
9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60524914
9-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42952244
9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 56781911
9-methyl-2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95613880
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 62062893
2-[(2-amino-2-methylpropyl)sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 66230419
2-(2-aminobutylsulfanylmethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 66229855

Frequently Asked Questions

What is the IUPAC name of 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 46583586) is 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(=O)n3cccc(C)c3n2)c1=O.
What is the InChIKey of 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is GCQDFNSIAUNISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-4-8-22-17(26)23(9-5-2)19(28)24(18(22)27)12-14-11-15(25)21-10-6-7-13(3)16(21)20-14/h4-7,10-11H,1-2,8-9,12H2,3H3.
What are the key properties of 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 381.39 g/mol, XLogP of -0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 46583586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).