2-chloro-N,6-dimethylpyrimidine-4-carboxamide

C7H8ClN3O — CID 88855458

IUPAC2-chloro-N,6-dimethylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc(Cl)n1
InChIInChI=1S/C7H8ClN3O/c1-4-3-5(6(12)9-2)11-7(8)10-4/h3H,1-2H3,(H,9,12)
InChIKeyVXDUVRFGTXTIOF-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.80
Rot. Bonds1

About 2-chloro-N,6-dimethylpyrimidine-4-carboxamide

2-chloro-N,6-dimethylpyrimidine-4-carboxamide (PubChem CID 88855458) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-chloro-N,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N,6-dimethylpyrimidine-4-carboxamide
PubChem CID88855458
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name2-chloro-N,6-dimethylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc(Cl)n1
InChIInChI=1S/C7H8ClN3O/c1-4-3-5(6(12)9-2)11-7(8)10-4/h3H,1-2H3,(H,9,12)
InChIKeyVXDUVRFGTXTIOF-UHFFFAOYSA-N
XLogP0.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N,6-dimethylpyrimidine-4-carboxamide (CID 88855458) is 2-chloro-N,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N,6-dimethylpyrimidine-4-carboxamide is CNC(=O)c1cc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-N,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is VXDUVRFGTXTIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c1-4-3-5(6(12)9-2)11-7(8)10-4/h3H,1-2H3,(H,9,12).
What are the key properties of 2-chloro-N,6-dimethylpyrimidine-4-carboxamide?
2-chloro-N,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 185.61 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 88855458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).