4,6-dichloropyrimidine-5-carboxamide

C5H3Cl2N3O — CID 600359

IUPAC4,6-dichloropyrimidine-5-carboxamide
SMILESNC(=O)c1c(Cl)ncnc1Cl
InChIInChI=1S/C5H3Cl2N3O/c6-3-2(5(8)11)4(7)10-1-9-3/h1H,(H2,8,11)
InChIKeyQYAHLZVZKDGUAW-UHFFFAOYSA-N
MW192.00 g/mol
LogP0.88
Rot. Bonds1

About 4,6-dichloropyrimidine-5-carboxamide

4,6-dichloropyrimidine-5-carboxamide (PubChem CID 600359) has the molecular formula C5H3Cl2N3O and a molecular weight of 192.00 g/mol. Its IUPAC name is 4,6-dichloropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dichloropyrimidine-5-carboxamide
PubChem CID600359
Molecular FormulaC5H3Cl2N3O
Molecular Weight192.00 g/mol
Exact Mass190.97
IUPAC Name4,6-dichloropyrimidine-5-carboxamide
SMILESNC(=O)c1c(Cl)ncnc1Cl
InChIInChI=1S/C5H3Cl2N3O/c6-3-2(5(8)11)4(7)10-1-9-3/h1H,(H2,8,11)
InChIKeyQYAHLZVZKDGUAW-UHFFFAOYSA-N
XLogP0.88
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.00
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloropyrimidine-5-carboxamide?
The IUPAC name of 4,6-dichloropyrimidine-5-carboxamide (CID 600359) is 4,6-dichloropyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dichloropyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dichloropyrimidine-5-carboxamide is NC(=O)c1c(Cl)ncnc1Cl.
What is the InChIKey of 4,6-dichloropyrimidine-5-carboxamide?
The InChIKey is QYAHLZVZKDGUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2N3O/c6-3-2(5(8)11)4(7)10-1-9-3/h1H,(H2,8,11).
What are the key properties of 4,6-dichloropyrimidine-5-carboxamide?
4,6-dichloropyrimidine-5-carboxamide has a molecular weight of 192.00 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloropyrimidine-5-carboxamide is sourced from PubChem (CID 600359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).