5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione

C20H20N4O7 — CID 4974461

IUPAC5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cccc2c1Oc1c(c(=O)n(C)c(=O)n1C)C2c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C20H20N4O7/c1-21-15(25)12(16(26)22(2)19(21)28)11-9-7-6-8-10(30-5)14(9)31-18-13(11)17(27)23(3)20(29)24(18)4/h6-8,11,25H,1-5H3
InChIKeyCFZZMRDTDNGFBC-UHFFFAOYSA-N
MW428.40 g/mol
LogP-0.52
Rot. Bonds2

About 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione

5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 4974461) has the molecular formula C20H20N4O7 and a molecular weight of 428.40 g/mol. Its IUPAC name is 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID4974461
Molecular FormulaC20H20N4O7
Molecular Weight428.40 g/mol
Exact Mass428.13
IUPAC Name5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cccc2c1Oc1c(c(=O)n(C)c(=O)n1C)C2c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C20H20N4O7/c1-21-15(25)12(16(26)22(2)19(21)28)11-9-7-6-8-10(30-5)14(9)31-18-13(11)17(27)23(3)20(29)24(18)4/h6-8,11,25H,1-5H3
InChIKeyCFZZMRDTDNGFBC-UHFFFAOYSA-N
XLogP-0.52
TPSA126.69 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.40
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

(5R)-5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-7-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
CID 40977708
11-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-14,16-dimethyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17)-pentaene-9,13,15-trione
CID 102231641
(5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
CID 7076427
7-amino-5-(2-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 139241869
(5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione
CID 7708549
ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate
CID 8614079
(5R)-5-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)-9-methoxy-3-prop-2-enyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
CID 27450280
5-(8,9-dihydroxy-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 3525726
azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
CID 44667031
(3S,4R)-3,4-dihydroxy-7-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 5315424
6-hydroxy-5-[(5R)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 136804405
10,16-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15(20),16,18-nonaene-3,6-diol
CID 132777321

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione (CID 4974461) is 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione is COc1cccc2c1Oc1c(c(=O)n(C)c(=O)n1C)C2c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CFZZMRDTDNGFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O7/c1-21-15(25)12(16(26)22(2)19(21)28)11-9-7-6-8-10(30-5)14(9)31-18-13(11)17(27)23(3)20(29)24(18)4/h6-8,11,25H,1-5H3.
What are the key properties of 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 428.40 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4974461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).