3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione

C20H16N2O4 — CID 666115

IUPAC3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOCCn1c(-c2ccccc2)nc2oc3ccccc3c(=O)c2c1=O
InChIInChI=1S/C20H16N2O4/c1-25-12-11-22-18(13-7-3-2-4-8-13)21-19-16(20(22)24)17(23)14-9-5-6-10-15(14)26-19/h2-10H,11-12H2,1H3
InChIKeyLIHRWPRKDSGLTB-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.82
Rot. Bonds4

About 3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione

3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 666115) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID666115
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOCCn1c(-c2ccccc2)nc2oc3ccccc3c(=O)c2c1=O
InChIInChI=1S/C20H16N2O4/c1-25-12-11-22-18(13-7-3-2-4-8-13)21-19-16(20(22)24)17(23)14-9-5-6-10-15(14)26-19/h2-10H,11-12H2,1H3
InChIKeyLIHRWPRKDSGLTB-UHFFFAOYSA-N
XLogP2.82
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxypropyl)-2-propyl-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
CID 1847485
2-(4-Fluorophenyl)-8-methoxy-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 1868227
3-Phenyl-2-propylchromeno[2,3-d]pyrimidine-4,5-dione
CID 2037799
(2-methoxyphenyl)(2-phenyl-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 802376
2-(Furan-2-yl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione
CID 665980
2-cyclohexyl-3-(furan-2-ylmethyl)-3H-chromeno[2,3-d]pyrimidine-4,5-dione
CID 666074
2-Ethyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione
CID 666107
2-ethyl-3-(2-methoxyethyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
CID 666226
3-(2-methoxyethyl)-2-(propan-2-yl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
CID 666376
2-(furan-2-yl)-3-(4-methoxybenzyl)-3H-chromeno[2,3-d]pyrimidine-4,5-dione
CID 666523
3-benzyl-2-(furan-2-yl)-3H-chromeno[2,3-d]pyrimidine-4,5-dione
CID 666649
7-bromo-3-(2-methoxyethyl)-2-methyl-3H-chromeno[2,3-d]pyrimidine-4,5-dione
CID 666693

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione (CID 666115) is 3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione is COCCn1c(-c2ccccc2)nc2oc3ccccc3c(=O)c2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is LIHRWPRKDSGLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-25-12-11-22-18(13-7-3-2-4-8-13)21-19-16(20(22)24)17(23)14-9-5-6-10-15(14)26-19/h2-10H,11-12H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione?
3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 348.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-phenylchromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 666115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).