N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C18H19N3O5 — CID 31799849

IUPACN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)c2c(C)oc3nc[nH]c(=O)c23)c1
InChIInChI=1S/C18H19N3O5/c1-9(12-7-11(24-3)5-6-13(12)25-4)21-17(23)14-10(2)26-18-15(14)16(22)19-8-20-18/h5-9H,1-4H3,(H,21,23)(H,19,20,22)/t9-/m1/s1
InChIKeyJTHQGVVFTYVICH-SECBINFHSA-N
MW357.37 g/mol
LogP2.33
Rot. Bonds5

About N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 31799849) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID31799849
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)c2c(C)oc3nc[nH]c(=O)c23)c1
InChIInChI=1S/C18H19N3O5/c1-9(12-7-11(24-3)5-6-13(12)25-4)21-17(23)14-10(2)26-18-15(14)16(22)19-8-20-18/h5-9H,1-4H3,(H,21,23)(H,19,20,22)/t9-/m1/s1
InChIKeyJTHQGVVFTYVICH-SECBINFHSA-N
XLogP2.33
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 94805754
methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate
CID 60693539
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124907001
N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55792336
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 45355171
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 133200218

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 31799849) is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is COc1ccc(OC)c([C@@H](C)NC(=O)c2c(C)oc3nc[nH]c(=O)c23)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JTHQGVVFTYVICH-SECBINFHSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-9(12-7-11(24-3)5-6-13(12)25-4)21-17(23)14-10(2)26-18-15(14)16(22)19-8-20-18/h5-9H,1-4H3,(H,21,23)(H,19,20,22)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 31799849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).