N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H15ClIN3O3 — CID 2980706

IUPACN-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2Cl)C(c2ccc(O)c(I)c2)NC(=O)N1
InChIInChI=1S/C18H15ClIN3O3/c1-9-15(17(25)22-13-5-3-2-4-11(13)19)16(23-18(26)21-9)10-6-7-14(24)12(20)8-10/h2-8,16,24H,1H3,(H,22,25)(H2,21,23,26)
InChIKeyQHLYXCCXMPGGAU-UHFFFAOYSA-N
MW483.69 g/mol
LogP3.92
Rot. Bonds3

About N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2980706) has the molecular formula C18H15ClIN3O3 and a molecular weight of 483.69 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2980706
Molecular FormulaC18H15ClIN3O3
Molecular Weight483.69 g/mol
Exact Mass482.98
IUPAC NameN-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2Cl)C(c2ccc(O)c(I)c2)NC(=O)N1
InChIInChI=1S/C18H15ClIN3O3/c1-9-15(17(25)22-13-5-3-2-4-11(13)19)16(23-18(26)21-9)10-6-7-14(24)12(20)8-10/h2-8,16,24H,1H3,(H,22,25)(H2,21,23,26)
InChIKeyQHLYXCCXMPGGAU-UHFFFAOYSA-N
XLogP3.92
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.69
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23935233
(4S)-4-(4-bromophenyl)-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1352632
N-(2-chlorophenyl)-4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4603454
4-(3-bromo-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 19588629
(4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1302475
(4S)-4-(2-bromophenyl)-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40816986
(4R)-4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1068666
(4R)-4-(4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 810290
(4R)-N-(3-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 35139481
(4R)-6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695897
(4S)-4-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 989757
N-(2-chlorophenyl)-6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2874516

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2980706) is N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2Cl)C(c2ccc(O)c(I)c2)NC(=O)N1.
What is the InChIKey of N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is QHLYXCCXMPGGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClIN3O3/c1-9-15(17(25)22-13-5-3-2-4-11(13)19)16(23-18(26)21-9)10-6-7-14(24)12(20)8-10/h2-8,16,24H,1H3,(H,22,25)(H2,21,23,26).
What are the key properties of N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 483.69 g/mol, XLogP of 3.92, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2980706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).