N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide

C13H11Cl2N3O2 — CID 171834940

IUPACN-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide
SMILESCOc1nc(C)ncc1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2N3O2/c1-7-16-6-8(13(17-7)20-2)12(19)18-11-9(14)4-3-5-10(11)15/h3-6H,1-2H3,(H,18,19)
InChIKeyFXPVVIFJSNYELB-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.35
Rot. Bonds3

About N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide

N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide (PubChem CID 171834940) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide
PubChem CID171834940
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC NameN-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide
SMILESCOc1nc(C)ncc1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2N3O2/c1-7-16-6-8(13(17-7)20-2)12(19)18-11-9(14)4-3-5-10(11)15/h3-6H,1-2H3,(H,18,19)
InChIKeyFXPVVIFJSNYELB-UHFFFAOYSA-N
XLogP3.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide
CID 171834988
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
N-(2,6-dichlorophenyl)-4-methoxy-2-(3-methyl-4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 171834950
4-amino-N-(2,6-dichlorophenyl)-6-methylpyridine-3-carboxamide
CID 81245380
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582
N-(2,6-dichlorophenyl)-2,3,4-trimethoxybenzamide
CID 2347602
N-(2,6-dichlorophenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide
CID 109164043
2-bromo-N-(2,6-dichlorophenyl)-5-methoxybenzamide
CID 60629817
2-amino-N-(2,6-dichlorophenyl)-4-methoxybenzamide
CID 110451620
N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 118164542
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide (CID 171834940) is N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide is COc1nc(C)ncc1C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide?
The InChIKey is FXPVVIFJSNYELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c1-7-16-6-8(13(17-7)20-2)12(19)18-11-9(14)4-3-5-10(11)15/h3-6H,1-2H3,(H,18,19).
What are the key properties of N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide?
N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide has a molecular weight of 312.16 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 171834940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).