5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

C18H19N5O4 — CID 4639682

IUPAC5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)c1nc2c(C)cccn2c(=O)c1C=C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C18H19N5O4/c1-4-22(5-2)14-11(9-12-15(24)20-18(27)21-16(12)25)17(26)23-8-6-7-10(3)13(23)19-14/h6-9H,4-5H2,1-3H3,(H2,20,21,24,25,27)
InChIKeyISKJIZVDEMXIBX-UHFFFAOYSA-N
MW369.38 g/mol
LogP0.60
Rot. Bonds4

About 5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 4639682) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID4639682
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)c1nc2c(C)cccn2c(=O)c1C=C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C18H19N5O4/c1-4-22(5-2)14-11(9-12-15(24)20-18(27)21-16(12)25)17(26)23-8-6-7-10(3)13(23)19-14/h6-9H,4-5H2,1-3H3,(H2,20,21,24,25,27)
InChIKeyISKJIZVDEMXIBX-UHFFFAOYSA-N
XLogP0.60
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-[[2-[ethyl(propyl)amino]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3140365
5-[[2-(dipropylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-dodecyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4699671
5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3995839
methyl 2-cyano-3-[2-(dibenzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
CID 3784446
3-benzyl-5-[[2-[benzyl(methyl)amino]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3259698
9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 818578
3-[(Z)-hydroxyiminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
CID 136851982
9-methyl-3-propan-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione
CID 154097501
2-(2-hydroxyethylamino)-3-[(Z)-hydroxyiminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 136904756
14-ethyl-6-methyl-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
CID 50984225
N,2,8-trimethyl-N-propylimidazo[1,2-a]pyridine-3-carboxamide
CID 126470700
(5Z)-5-[[2-[benzyl(methyl)amino]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6861157

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione (CID 4639682) is 5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is CCN(CC)c1nc2c(C)cccn2c(=O)c1C=C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is ISKJIZVDEMXIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-4-22(5-2)14-11(9-12-15(24)20-18(27)21-16(12)25)17(26)23-8-6-7-10(3)13(23)19-14/h6-9H,4-5H2,1-3H3,(H2,20,21,24,25,27).
What are the key properties of 5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 369.38 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(diethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 4639682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).