(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

C20H20N4O7 — CID 40977708

IUPAC(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
SMILESCOc1ccc2c(c1)[C@H](c1c(O)n(C)c(=O)n(C)c1=O)c1c(n(C)c(=O)n(C)c1=O)O2
InChIInChI=1S/C20H20N4O7/c1-21-15(25)13(16(26)22(2)19(21)28)12-10-8-9(30-5)6-7-11(10)31-18-14(12)17(27)23(3)20(29)24(18)4/h6-8,12,25H,1-5H3/t12-/m1/s1
InChIKeyFVFHNRNUXVQEGO-GFCCVEGCSA-N
MW428.40 g/mol
LogP-0.52
Rot. Bonds2

About (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

(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 (PubChem CID 40977708) has the molecular formula C20H20N4O7 and a molecular weight of 428.40 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID40977708
Molecular FormulaC20H20N4O7
Molecular Weight428.40 g/mol
Exact Mass428.13
IUPAC Name(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
SMILESCOc1ccc2c(c1)[C@H](c1c(O)n(C)c(=O)n(C)c1=O)c1c(n(C)c(=O)n(C)c1=O)O2
InChIInChI=1S/C20H20N4O7/c1-21-15(25)13(16(26)22(2)19(21)28)12-10-8-9(30-5)6-7-11(10)31-18-14(12)17(27)23(3)20(29)24(18)4/h6-8,12,25H,1-5H3/t12-/m1/s1
InChIKeyFVFHNRNUXVQEGO-GFCCVEGCSA-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 (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 with MolForge

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Related Compounds

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
(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
ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate
CID 8614079
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
6-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1,3-dimethylpyrimidine-2,4-dione
CID 53450972
5-(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 3132928
(1S,8R)-4-methoxy-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13,15(19)-heptaene-16,18-dione
CID 10614452
6-hydroxy-5-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 135570253
7-amino-5-(2-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 139241869
(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
CID 1129293
(5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione
CID 7708549
6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4783672

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc2c(c1)[C@H](c1c(O)n(C)c(=O)n(C)c1=O)c1c(n(C)c(=O)n(C)c1=O)O2.
What is the InChIKey of (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?
The InChIKey is FVFHNRNUXVQEGO-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20N4O7/c1-21-15(25)13(16(26)22(2)19(21)28)12-10-8-9(30-5)6-7-11(10)31-18-14(12)17(27)23(3)20(29)24(18)4/h6-8,12,25H,1-5H3/t12-/m1/s1.
What are the key properties of (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?
(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 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 (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 is sourced from PubChem (CID 40977708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).