N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C20H23N3O3 — CID 53209476

IUPACN-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c12
InChIInChI=1S/C20H23N3O3/c1-5-14-8-6-7-9-15(14)22-18(24)16-13(4)26-19-17(16)20(25)23(11-21-19)10-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,22,24)
InChIKeyBZJMNKVYKDZGIL-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.77
Rot. Bonds5

About N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53209476) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID53209476
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c12
InChIInChI=1S/C20H23N3O3/c1-5-14-8-6-7-9-15(14)22-18(24)16-13(4)26-19-17(16)20(25)23(11-21-19)10-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,22,24)
InChIKeyBZJMNKVYKDZGIL-UHFFFAOYSA-N
XLogP3.77
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 20925104
N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209384
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209538
N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 71035742
3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91949977
N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide
CID 14128614
N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209396
3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91950234
6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one
CID 53209401
ethyl 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651206
N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209506
6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 71035495

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 53209476) is N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is CCc1ccccc1NC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c12.
What is the InChIKey of N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BZJMNKVYKDZGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-5-14-8-6-7-9-15(14)22-18(24)16-13(4)26-19-17(16)20(25)23(11-21-19)10-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,22,24).
What are the key properties of N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53209476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).