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

C16H13BrN4O4 — CID 55960049

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4O4/c1-8-12(13-15(24)19-7-20-16(13)25-8)14(23)18-6-11(22)21-10-4-2-9(17)3-5-10/h2-5,7H,6H2,1H3,(H,18,23)(H,21,22)(H,19,20,24)
InChIKeyUYPBIWYCIYHJFQ-UHFFFAOYSA-N
MW405.21 g/mol
LogP1.96
Rot. Bonds4

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

N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55960049) has the molecular formula C16H13BrN4O4 and a molecular weight of 405.21 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID55960049
Molecular FormulaC16H13BrN4O4
Molecular Weight405.21 g/mol
Exact Mass404.01
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4O4/c1-8-12(13-15(24)19-7-20-16(13)25-8)14(23)18-6-11(22)21-10-4-2-9(17)3-5-10/h2-5,7H,6H2,1H3,(H,18,23)(H,21,22)(H,19,20,24)
InChIKeyUYPBIWYCIYHJFQ-UHFFFAOYSA-N
XLogP1.96
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.21
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

6-methyl-N-(3-methylphenyl)-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 36676708
N-[3-(4-bromoanilino)-3-oxopropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55952217
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
N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073119
N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55869447
N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 99564537
methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate
CID 60693539
N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 75493186
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 29304267
2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid
CID 60830861
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 126769962

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 55960049) is N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2nc[nH]c(=O)c2c1C(=O)NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is UYPBIWYCIYHJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O4/c1-8-12(13-15(24)19-7-20-16(13)25-8)14(23)18-6-11(22)21-10-4-2-9(17)3-5-10/h2-5,7H,6H2,1H3,(H,18,23)(H,21,22)(H,19,20,24).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 405.21 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55960049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).