N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C17H17N3O5 — CID 75493186

IUPACN-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc1OC
InChIInChI=1S/C17H17N3O5/c1-8-5-11(23-3)12(24-4)6-10(8)20-16(22)13-9(2)25-17-14(13)15(21)18-7-19-17/h5-7H,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyPEFLLQVDIFLGDC-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.40
Rot. Bonds4

About N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 75493186) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID75493186
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc1OC
InChIInChI=1S/C17H17N3O5/c1-8-5-11(23-3)12(24-4)6-10(8)20-16(22)13-9(2)25-17-14(13)15(21)18-7-19-17/h5-7H,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyPEFLLQVDIFLGDC-UHFFFAOYSA-N
XLogP2.40
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 143746633
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 35862149
6-methyl-N-(3-methylphenyl)-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 36676708
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 31799849
methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate
CID 60693539
N-(4-ethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 37345022
N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55869447
6-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 154798288
6-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 60981855
6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 78957760
6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 94805754
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 107261163

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 75493186) is N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is COc1cc(C)c(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is PEFLLQVDIFLGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-8-5-11(23-3)12(24-4)6-10(8)20-16(22)13-9(2)25-17-14(13)15(21)18-7-19-17/h5-7H,1-4H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 75493186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).