4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C19H18BrN3O3 — CID 19588629

IUPAC4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2ccc(O)c(Br)c2)NC(=O)N1
InChIInChI=1S/C19H18BrN3O3/c1-10-5-3-4-6-14(10)22-18(25)16-11(2)21-19(26)23-17(16)12-7-8-15(24)13(20)9-12/h3-9,17,24H,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyKBLUINDDQOTBDF-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.73
Rot. Bonds3

About 4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 19588629) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID19588629
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2ccc(O)c(Br)c2)NC(=O)N1
InChIInChI=1S/C19H18BrN3O3/c1-10-5-3-4-6-14(10)22-18(25)16-11(2)21-19(26)23-17(16)12-7-8-15(24)13(20)9-12/h3-9,17,24H,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyKBLUINDDQOTBDF-UHFFFAOYSA-N
XLogP3.73
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(3-bromophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1083625
(4R)-4-(4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 810290
(4R)-6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695897
(4R)-4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1068666
4-(3-methoxy-4-methylphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23825573
4-(2-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2851771
4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2849941
6-methyl-N-(2-methylphenyl)-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4672551
N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2980706
N-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23935233
(4S)-4-(2,6-difluorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 8005259
(4S)-4-(4-bromophenyl)-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1352632

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 19588629) is 4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(O)c(Br)c2)NC(=O)N1.
What is the InChIKey of 4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is KBLUINDDQOTBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-10-5-3-4-6-14(10)22-18(25)16-11(2)21-19(26)23-17(16)12-7-8-15(24)13(20)9-12/h3-9,17,24H,1-2H3,(H,22,25)(H2,21,23,26).
What are the key properties of 4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 416.28 g/mol, XLogP of 3.73, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 19588629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).