7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C20H15N3O6 — CID 135638894

IUPAC7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cccc(-n2c(=O)[nH]c(=O)c3ccc(-c4c(O)cc(C)oc4=O)nc32)c1
InChIInChI=1S/C20H15N3O6/c1-10-8-15(24)16(19(26)29-10)14-7-6-13-17(21-14)23(20(27)22-18(13)25)11-4-3-5-12(9-11)28-2/h3-9,24H,1-2H3,(H,22,25,27)
InChIKeyKFYAQEGKPSFZJS-UHFFFAOYSA-N
MW393.36 g/mol
LogP1.72
Rot. Bonds3

About 7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 135638894) has the molecular formula C20H15N3O6 and a molecular weight of 393.36 g/mol. Its IUPAC name is 7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID135638894
Molecular FormulaC20H15N3O6
Molecular Weight393.36 g/mol
Exact Mass393.10
IUPAC Name7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cccc(-n2c(=O)[nH]c(=O)c3ccc(-c4c(O)cc(C)oc4=O)nc32)c1
InChIInChI=1S/C20H15N3O6/c1-10-8-15(24)16(19(26)29-10)14-7-6-13-17(21-14)23(20(27)22-18(13)25)11-4-3-5-12(9-11)28-2/h3-9,24H,1-2H3,(H,22,25,27)
InChIKeyKFYAQEGKPSFZJS-UHFFFAOYSA-N
XLogP1.72
TPSA127.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(4-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 135638739
1-(4-fluorophenyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048975
7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(pyridin-3-ylmethyl)-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
CID 135638232
7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048739
7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048788
4-(3-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 3843100
7-[(4aR)-5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-f]indazol-8-yl]-1-(4-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 154804651
7-(2-hydroxy-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048803
7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 154925291
5-[(2,5-dimethylpyrrol-3-ylidene)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 2291302
6-methoxy-1-phenylquinazoline-2,4-dione
CID 177394173
1-(1,3-benzodioxol-5-ylmethyl)-7-(2-hydroxy-5-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 154925268

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 135638894) is 7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is COc1cccc(-n2c(=O)[nH]c(=O)c3ccc(-c4c(O)cc(C)oc4=O)nc32)c1.
What is the InChIKey of 7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KFYAQEGKPSFZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O6/c1-10-8-15(24)16(19(26)29-10)14-7-6-13-17(21-14)23(20(27)22-18(13)25)11-4-3-5-12(9-11)28-2/h3-9,24H,1-2H3,(H,22,25,27).
What are the key properties of 7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 393.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-1-(3-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 135638894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).