5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione

C16H17N3O3 — CID 57338633

IUPAC5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(C2NC=Cc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C16H17N3O3/c1-18-12-8-9-17-14(10-4-6-11(22-3)7-5-10)13(12)15(20)19(2)16(18)21/h4-9,14,17H,1-3H3
InChIKeyMAIUSRDKFHMPAX-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.76
Rot. Bonds2

About 5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione

5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 57338633) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID57338633
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(C2NC=Cc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C16H17N3O3/c1-18-12-8-9-17-14(10-4-6-11(22-3)7-5-10)13(12)15(20)19(2)16(18)21/h4-9,14,17H,1-3H3
InChIKeyMAIUSRDKFHMPAX-UHFFFAOYSA-N
XLogP0.76
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 42651997
(5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 29134316
(5R)-7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 126085811
5'-(4-methoxyphenyl)-1,1',3,3'-tetramethylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone
CID 102262091
5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 18866920
5-(4-methoxyphenyl)-1,3-dimethyl-6-phenyl-7-sulfanylidene-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4-dione
CID 102126121
(5S,7R)-7-(4-methoxyphenyl)-1,3-dimethyl-5-(4-nitrophenyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
CID 101117534
6-hydroxy-5-[(3S)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazol-5-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 136917266
methyl 5-(4-bromophenyl)-7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbodithioate
CID 50901278
(2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one
CID 10330960
4-(4-methoxyphenyl)-1,3-dimethylimidazolidin-2-one
CID 116982870
(5S,6R)-7,7-diethoxy-5-(4-methoxyphenyl)-1,3,6-trimethyl-5,6-dihydropyrano[2,3-d]pyrimidine-2,4-dione
CID 134866559

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione (CID 57338633) is 5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione is COc1ccc(C2NC=Cc3c2c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is MAIUSRDKFHMPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-18-12-8-9-17-14(10-4-6-11(22-3)7-5-10)13(12)15(20)19(2)16(18)21/h4-9,14,17H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione?
5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 299.33 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 57338633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).