N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

C12H9Cl2N3O2 — CID 137147414

IUPACN-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1cc(=O)[nH]cn1
InChIInChI=1S/C12H9Cl2N3O2/c13-8-2-1-7(9(14)3-8)5-15-12(19)10-4-11(18)17-6-16-10/h1-4,6H,5H2,(H,15,19)(H,16,17,18)
InChIKeyUCRDGTRMFGWSHJ-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.01
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137147414) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137147414
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1cc(=O)[nH]cn1
InChIInChI=1S/C12H9Cl2N3O2/c13-8-2-1-7(9(14)3-8)5-15-12(19)10-4-11(18)17-6-16-10/h1-4,6H,5H2,(H,15,19)(H,16,17,18)
InChIKeyUCRDGTRMFGWSHJ-UHFFFAOYSA-N
XLogP2.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
CID 71655570
4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9268867
N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
CID 2707271
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666389
3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide
CID 22992257
2-[(2,4-dichlorophenyl)methylcarbamoyl]cyclohexene-1-carboxylic acid
CID 134117071
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154869241
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 631511
N-[2-(2,4-dichlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4796120

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 137147414) is N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)c1cc(=O)[nH]cn1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is UCRDGTRMFGWSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c13-8-2-1-7(9(14)3-8)5-15-12(19)10-4-11(18)17-6-16-10/h1-4,6H,5H2,(H,15,19)(H,16,17,18).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 298.13 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137147414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).