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

C20H20N4O6 — CID 7076427

IUPAC(5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1c([C@H]2c3ccccc3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C20H20N4O6/c1-21-15(25)13(17(29-5)23(3)19(21)27)12-10-8-6-7-9-11(10)30-18-14(12)16(26)22(2)20(28)24(18)4/h6-9,12H,1-5H3/t12-/m1/s1
InChIKeyWHHADUKTNXHUNJ-GFCCVEGCSA-N
MW412.40 g/mol
LogP-0.22
Rot. Bonds2

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

(5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 7076427) has the molecular formula C20H20N4O6 and a molecular weight of 412.40 g/mol. Its IUPAC name is (5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID7076427
Molecular FormulaC20H20N4O6
Molecular Weight412.40 g/mol
Exact Mass412.14
IUPAC Name(5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1c([C@H]2c3ccccc3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C20H20N4O6/c1-21-15(25)13(17(29-5)23(3)19(21)27)12-10-8-6-7-9-11(10)30-18-14(12)16(26)22(2)20(28)24(18)4/h6-9,12H,1-5H3/t12-/m1/s1
InChIKeyWHHADUKTNXHUNJ-GFCCVEGCSA-N
XLogP-0.22
TPSA106.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-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
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
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
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
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
(5S)-7-amino-5-(2-chlorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 827631
5-(4-hydroxyphenyl)-1,3-dimethyl-5,6-dihydropyrimido[4,5-b][1,5]benzoxazepine-2,4-dione
CID 659634
7-amino-1,3-dimethyl-2,4-dioxo-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 2815157
1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
CID 102511831
ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one
CID 91371592
ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate
CID 8614079

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of (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) is (5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione is COc1c([C@H]2c3ccccc3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c(=O)n1C.
What is the InChIKey of (5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WHHADUKTNXHUNJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20N4O6/c1-21-15(25)13(17(29-5)23(3)19(21)27)12-10-8-6-7-9-11(10)30-18-14(12)16(26)22(2)20(28)24(18)4/h6-9,12H,1-5H3/t12-/m1/s1.
What are the key properties of (5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
(5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 412.40 g/mol, XLogP of -0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7076427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).