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

C20H23N3O4 — CID 20925104

IUPACN-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c12
InChIInChI=1S/C20H23N3O4/c1-12(2)10-23-11-22-19-17(20(23)25)16(13(3)27-19)18(24)21-9-14-7-5-6-8-15(14)26-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,24)
InChIKeyIRCMPABFRXAIOA-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.89
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 20925104) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID20925104
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c12
InChIInChI=1S/C20H23N3O4/c1-12(2)10-23-11-22-19-17(20(23)25)16(13(3)27-19)18(24)21-9-14-7-5-6-8-15(14)26-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,24)
InChIKeyIRCMPABFRXAIOA-UHFFFAOYSA-N
XLogP2.89
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53024095
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-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
CID 53167284
ethyl 3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8653277
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949960
ethyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652437
N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209396
N-[(3-methoxy-4-propoxyphenyl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55635299
N-[(2-methoxyphenyl)methyl]-3-[3-(4-methylphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46279913
3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950002
N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 99564537

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 20925104) is N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is COc1ccccc1CNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is IRCMPABFRXAIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-12(2)10-23-11-22-19-17(20(23)25)16(13(3)27-19)18(24)21-9-14-7-5-6-8-15(14)26-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 20925104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).