6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione

C17H16N4O3 — CID 118056231

IUPAC6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione
SMILESC=CCc1ccc(-n2c(=O)c3cc(OC)ncc3n(C)c2=O)cn1
InChIInChI=1S/C17H16N4O3/c1-4-5-11-6-7-12(9-18-11)21-16(22)13-8-15(24-3)19-10-14(13)20(2)17(21)23/h4,6-10H,1,5H2,2-3H3
InChIKeyPGGYBWLQAYMQOI-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.22
Rot. Bonds4

About 6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione

6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 118056231) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID118056231
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione
SMILESC=CCc1ccc(-n2c(=O)c3cc(OC)ncc3n(C)c2=O)cn1
InChIInChI=1S/C17H16N4O3/c1-4-5-11-6-7-12(9-18-11)21-16(22)13-8-15(24-3)19-10-14(13)20(2)17(21)23/h4,6-10H,1,5H2,2-3H3
InChIKeyPGGYBWLQAYMQOI-UHFFFAOYSA-N
XLogP1.22
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

4-chloro-6-methoxy-1-methyl-1,7-naphthyridin-2-one
CID 150378394
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CID 58354706
3,7-dimethoxy-9-methylpyrido[3,4-b]indole
CID 90455764
3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione
CID 17197956
8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 57344810
ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile
CID 171100787
1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one
CID 171746170
3-[3-[(2,6-difluorophenyl)methoxy]phenyl]-1-methylpyrido[3,4-d]pyrimidine-2,4-dione
CID 118192678
8-hydroxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one
CID 59242617
4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114437531
1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 24694826
5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione
CID 177336311

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione (CID 118056231) is 6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione is C=CCc1ccc(-n2c(=O)c3cc(OC)ncc3n(C)c2=O)cn1.
What is the InChIKey of 6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is PGGYBWLQAYMQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-4-5-11-6-7-12(9-18-11)21-16(22)13-8-15(24-3)19-10-14(13)20(2)17(21)23/h4,6-10H,1,5H2,2-3H3.
What are the key properties of 6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione?
6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 324.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-3-(6-prop-2-enyl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 118056231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).