(5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione

C22H20N2O4 — CID 7708549

IUPAC(5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1[C@@H]1C=C(c2ccccc2)Oc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H20N2O4/c1-23-20(25)19-16(15-11-7-8-12-17(15)27-3)13-18(14-9-5-4-6-10-14)28-21(19)24(2)22(23)26/h4-13,16H,1-3H3/t16-/m0/s1
InChIKeyLNDZCSSLAQQMOM-INIZCTEOSA-N
MW376.41 g/mol
LogP2.66
Rot. Bonds3

About (5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione

(5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione (PubChem CID 7708549) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione
PubChem CID7708549
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1[C@@H]1C=C(c2ccccc2)Oc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H20N2O4/c1-23-20(25)19-16(15-11-7-8-12-17(15)27-3)13-18(14-9-5-4-6-10-14)28-21(19)24(2)22(23)26/h4-13,16H,1-3H3/t16-/m0/s1
InChIKeyLNDZCSSLAQQMOM-INIZCTEOSA-N
XLogP2.66
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

7-amino-5-(2-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 139241869
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
N-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide
CID 11428639
(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
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
7-amino-1,3-dimethyl-2,4-dioxo-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 2815157
4-(2-methoxyphenyl)-2-phenyl-4H-1,3-oxazol-5-one
CID 45123203
(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
(5S)-7-amino-5-(2-chlorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 827631
methyl 2-amino-4-(2-methoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 5172147
ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate
CID 8614079
ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one
CID 91371592

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of (5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione (CID 7708549) is (5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for (5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione is COc1ccccc1[C@@H]1C=C(c2ccccc2)Oc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of (5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LNDZCSSLAQQMOM-INIZCTEOSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-23-20(25)19-16(15-11-7-8-12-17(15)27-3)13-18(14-9-5-4-6-10-14)28-21(19)24(2)22(23)26/h4-13,16H,1-3H3/t16-/m0/s1.
What are the key properties of (5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
(5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione has a molecular weight of 376.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methoxyphenyl)-1,3-dimethyl-7-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7708549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).