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

C17H18N2O4 — CID 666376

IUPAC3-(2-methoxyethyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOCCn1c(C(C)C)nc2oc3ccccc3c(=O)c2c1=O
InChIInChI=1S/C17H18N2O4/c1-10(2)15-18-16-13(17(21)19(15)8-9-22-3)14(20)11-6-4-5-7-12(11)23-16/h4-7,10H,8-9H2,1-3H3
InChIKeyGDOUOSMRVIQMRB-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.27
Rot. Bonds4

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

3-(2-methoxyethyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 666376) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID666376
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3-(2-methoxyethyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOCCn1c(C(C)C)nc2oc3ccccc3c(=O)c2c1=O
InChIInChI=1S/C17H18N2O4/c1-10(2)15-18-16-13(17(21)19(15)8-9-22-3)14(20)11-6-4-5-7-12(11)23-16/h4-7,10H,8-9H2,1-3H3
InChIKeyGDOUOSMRVIQMRB-UHFFFAOYSA-N
XLogP2.27
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.27
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
2-cyclohexyl-3-(furan-2-ylmethyl)-3H-chromeno[2,3-d]pyrimidine-4,5-dione
CID 666074
2-ethyl-3-(2-methoxyethyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
CID 666226
7-bromo-3-(2-methoxyethyl)-2-methyl-3H-chromeno[2,3-d]pyrimidine-4,5-dione
CID 666693
3-benzyl-2-methyl-3H-chromeno[2,3-d]pyrimidine-4,5-dione
CID 666795
8-methoxy-3-(3-methoxypropyl)-2-(propan-2-yl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
CID 667085
2-cyclohexyl-8-methoxy-3-(3-methoxypropyl)-3H-chromeno[2,3-d]pyrimidine-4,5-dione
CID 667247
2-Ethyl-3-[(4-methoxyphenyl)methyl][1]benzopyrano[2,3-d]pyrimidine-4,5-dione
CID 667297
3-butyl-2-(furan-2-yl)-3H-chromeno[2,3-d]pyrimidine-4,5-dione
CID 1829972
2-cyclohexyl-3-[2-(4-methoxyphenyl)ethyl]-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
CID 1833661
3-benzyl-2-ethyl-3H-chromeno[2,3-d]pyrimidine-4,5-dione
CID 666407

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 3-(2-methoxyethyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione (CID 666376) is 3-(2-methoxyethyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 3-(2-methoxyethyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 3-(2-methoxyethyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione is COCCn1c(C(C)C)nc2oc3ccccc3c(=O)c2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is GDOUOSMRVIQMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-10(2)15-18-16-13(17(21)19(15)8-9-22-3)14(20)11-6-4-5-7-12(11)23-16/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione?
3-(2-methoxyethyl)-2-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 314.34 g/mol, XLogP of 2.27, 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-propan-2-ylchromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 666376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).