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

C17H18ClN3O4 — CID 71945911

IUPAC5-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
SMILESCOCCNc1oc2c(c1-c1ccccc1Cl)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H18ClN3O4/c1-20-15(22)13-12(10-6-4-5-7-11(10)18)14(19-8-9-24-3)25-16(13)21(2)17(20)23/h4-7,19H,8-9H2,1-3H3
InChIKeyJERCDRSSSHNTQK-UHFFFAOYSA-N
MW363.80 g/mol
LogP2.21
Rot. Bonds5

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

5-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione (PubChem CID 71945911) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
PubChem CID71945911
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name5-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
SMILESCOCCNc1oc2c(c1-c1ccccc1Cl)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H18ClN3O4/c1-20-15(22)13-12(10-6-4-5-7-11(10)18)14(19-8-9-24-3)25-16(13)21(2)17(20)23/h4-7,19H,8-9H2,1-3H3
InChIKeyJERCDRSSSHNTQK-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-(3-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
CID 8741314
5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16802512
2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile
CID 2192066
5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)furan-2-carboxamide
CID 18161050
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypropan-1-amine
CID 110652114
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine
CID 18826632
6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 137429470
5-tert-butyl-3-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4870041
5-(2-chlorophenyl)-6-[2-(hydroxymethyl)phenyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 4897514
[5-(2-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]urea
CID 4897457
4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 142192774
2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one
CID 8741329

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione (CID 71945911) is 5-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione is COCCNc1oc2c(c1-c1ccccc1Cl)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JERCDRSSSHNTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-20-15(22)13-12(10-6-4-5-7-11(10)18)14(19-8-9-24-3)25-16(13)21(2)17(20)23/h4-7,19H,8-9H2,1-3H3.
What are the key properties of 5-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
5-(2-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-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 71945911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).