5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione

C17H18ClN3O4 — CID 8741314

IUPAC5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
SMILESCOCCNc1oc2c(c1-c1cccc(Cl)c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H18ClN3O4/c1-20-15(22)13-12(10-5-4-6-11(18)9-10)14(19-7-8-24-3)25-16(13)21(2)17(20)23/h4-6,9,19H,7-8H2,1-3H3
InChIKeyDDRULSCKNAANSX-UHFFFAOYSA-N
MW363.80 g/mol
LogP2.21
Rot. Bonds5

About 5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione

5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione (PubChem CID 8741314) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
PubChem CID8741314
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
SMILESCOCCNc1oc2c(c1-c1cccc(Cl)c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H18ClN3O4/c1-20-15(22)13-12(10-5-4-6-11(18)9-10)14(19-7-8-24-3)25-16(13)21(2)17(20)23/h4-6,9,19H,7-8H2,1-3H3
InChIKeyDDRULSCKNAANSX-UHFFFAOYSA-N
XLogP2.21
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
CID 71945911
6-(3-chlorophenyl)-2-(2-methoxyethylamino)-3-methylthieno[3,2-d]pyrimidin-4-one
CID 46948238
3-(3-fluorophenyl)-2-(2-methoxyethylamino)furo[3,2-c]chromen-4-one
CID 8741319
2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one
CID 8741329
N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 3825733
4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
CID 55025921
4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one
CID 22058094
6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide
CID 126473970
5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16802512
2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887774
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
2-(3-chlorophenyl)-1-(2-methoxyethyl)-5-methylpyrrole
CID 82087279

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione (CID 8741314) is 5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione is COCCNc1oc2c(c1-c1cccc(Cl)c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DDRULSCKNAANSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-20-15(22)13-12(10-5-4-6-11(18)9-10)14(19-7-8-24-3)25-16(13)21(2)17(20)23/h4-6,9,19H,7-8H2,1-3H3.
What are the key properties of 5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione has a molecular weight of 363.80 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 8741314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).