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

C19H19N3O4 — CID 99564537

IUPACN-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccccc1OC1CCC1
InChIInChI=1S/C19H19N3O4/c1-11-15(16-18(24)21-10-22-19(16)25-11)17(23)20-9-12-5-2-3-8-14(12)26-13-6-4-7-13/h2-3,5,8,10,13H,4,6-7,9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyQUVVLIOYNKMFIR-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.69
Rot. Bonds5

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

N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 99564537) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID99564537
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccccc1OC1CCC1
InChIInChI=1S/C19H19N3O4/c1-11-15(16-18(24)21-10-22-19(16)25-11)17(23)20-9-12-5-2-3-8-14(12)26-13-6-4-7-13/h2-3,5,8,10,13H,4,6-7,9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyQUVVLIOYNKMFIR-UHFFFAOYSA-N
XLogP2.69
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 126780921
N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073119
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 34665634
N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 31798248
6-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 60981855
6-methyl-4-oxo-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 39516500
(2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 107833087
6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55958179
1-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165040
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 107261163
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 29304267
5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685709

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 99564537) is N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccccc1OC1CCC1.
What is the InChIKey of N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is QUVVLIOYNKMFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11-15(16-18(24)21-10-22-19(16)25-11)17(23)20-9-12-5-2-3-8-14(12)26-13-6-4-7-13/h2-3,5,8,10,13H,4,6-7,9H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 99564537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).