4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide

C10H7Cl3N4O2 — CID 114053534

IUPAC4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide
SMILESCOc1cc(Cl)nc(NC(=O)c2cc(Cl)c(Cl)[nH]2)n1
InChIInChI=1S/C10H7Cl3N4O2/c1-19-7-3-6(12)15-10(16-7)17-9(18)5-2-4(11)8(13)14-5/h2-3,14H,1H3,(H,15,16,17,18)
InChIKeyQUVGXKVMFZTCFG-UHFFFAOYSA-N
MW321.55 g/mol
LogP3.03
Rot. Bonds3

About 4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide

4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 114053534) has the molecular formula C10H7Cl3N4O2 and a molecular weight of 321.55 g/mol. Its IUPAC name is 4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID114053534
Molecular FormulaC10H7Cl3N4O2
Molecular Weight321.55 g/mol
Exact Mass319.96
IUPAC Name4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide
SMILESCOc1cc(Cl)nc(NC(=O)c2cc(Cl)c(Cl)[nH]2)n1
InChIInChI=1S/C10H7Cl3N4O2/c1-19-7-3-6(12)15-10(16-7)17-9(18)5-2-4(11)8(13)14-5/h2-3,14H,1H3,(H,15,16,17,18)
InChIKeyQUVGXKVMFZTCFG-UHFFFAOYSA-N
XLogP3.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 114052912
N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide
CID 114052810
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide
CID 114053555
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide
CID 114053516
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide
CID 114053499
N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 114053520
4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide
CID 114074743
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31301489
2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide
CID 114052914
2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410909
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide
CID 107603438

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide (CID 114053534) is 4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide is COc1cc(Cl)nc(NC(=O)c2cc(Cl)c(Cl)[nH]2)n1.
What is the InChIKey of 4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is QUVGXKVMFZTCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N4O2/c1-19-7-3-6(12)15-10(16-7)17-9(18)5-2-4(11)8(13)14-5/h2-3,14H,1H3,(H,15,16,17,18).
What are the key properties of 4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 321.55 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 114053534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).