N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C17H16ClN3O4 — CID 35533144

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1c(C)oc2ncn(C)c(=O)c12
InChIInChI=1S/C17H16ClN3O4/c1-8-5-11(12(24-4)6-10(8)18)20-15(22)13-9(2)25-16-14(13)17(23)21(3)7-19-16/h5-7H,1-4H3,(H,20,22)
InChIKeyJKXQBEKMIJZQSI-UHFFFAOYSA-N
MW361.79 g/mol
LogP3.06
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 35533144) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID35533144
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1c(C)oc2ncn(C)c(=O)c12
InChIInChI=1S/C17H16ClN3O4/c1-8-5-11(12(24-4)6-10(8)18)20-15(22)13-9(2)25-16-14(13)17(23)21(3)7-19-16/h5-7H,1-4H3,(H,20,22)
InChIKeyJKXQBEKMIJZQSI-UHFFFAOYSA-N
XLogP3.06
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 29231564
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 32735662
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 35997703
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-[6-(dimethylamino)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 30295845
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55892404
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121054
2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid
CID 119223894
N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 75493186
N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249264
N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949862
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 35533144) is N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1c(C)oc2ncn(C)c(=O)c12.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JKXQBEKMIJZQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c1-8-5-11(12(24-4)6-10(8)18)20-15(22)13-9(2)25-16-14(13)17(23)21(3)7-19-16/h5-7H,1-4H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 361.79 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 35533144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).