2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide

C13H11Cl2N3O3 — CID 171834988

IUPAC2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide
SMILESCOc1cccc(Cl)c1NC(=O)c1cnc(Cl)nc1OC
InChIInChI=1S/C13H11Cl2N3O3/c1-20-9-5-3-4-8(14)10(9)17-11(19)7-6-16-13(15)18-12(7)21-2/h3-6H,1-2H3,(H,17,19)
InChIKeyVNFLCUDCAAFPJM-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.05
Rot. Bonds4

About 2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide

2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide (PubChem CID 171834988) has the molecular formula C13H11Cl2N3O3 and a molecular weight of 328.16 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide
PubChem CID171834988
Molecular FormulaC13H11Cl2N3O3
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide
SMILESCOc1cccc(Cl)c1NC(=O)c1cnc(Cl)nc1OC
InChIInChI=1S/C13H11Cl2N3O3/c1-20-9-5-3-4-8(14)10(9)17-11(19)7-6-16-13(15)18-12(7)21-2/h3-6H,1-2H3,(H,17,19)
InChIKeyVNFLCUDCAAFPJM-UHFFFAOYSA-N
XLogP3.05
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide
CID 171834940
N-(2-chloro-6-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 44721323
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
methyl 2-chloro-4-methoxypyrimidine-5-carboxylate
CID 71741355
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582
N-(2,6-dichlorophenyl)-2,3,4-trimethoxybenzamide
CID 2347602
N-(2-amino-6-chlorophenyl)-4-chloro-2-methoxybenzamide
CID 62085162
2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide
CID 118905561
2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide
CID 170754075
N-(2,6-dichlorophenyl)-4-methoxy-2-(3-methyl-4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 171834950
2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
CID 45051392
N-(2-amino-6-chlorophenyl)-3,4-dimethoxybenzamide
CID 62084435

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide (CID 171834988) is 2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide is COc1cccc(Cl)c1NC(=O)c1cnc(Cl)nc1OC.
What is the InChIKey of 2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide?
The InChIKey is VNFLCUDCAAFPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3/c1-20-9-5-3-4-8(14)10(9)17-11(19)7-6-16-13(15)18-12(7)21-2/h3-6H,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide?
2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide has a molecular weight of 328.16 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 171834988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).