4,6-dimethylpyrimidine-2-carboxamide

C7H9N3O — CID 12562157

IUPAC4,6-dimethylpyrimidine-2-carboxamide
SMILESCc1cc(C)nc(C(N)=O)n1
InChIInChI=1S/C7H9N3O/c1-4-3-5(2)10-7(9-4)6(8)11/h3H,1-2H3,(H2,8,11)
InChIKeyGQSYNOBFTDVBDM-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.19
Rot. Bonds1

About 4,6-dimethylpyrimidine-2-carboxamide

4,6-dimethylpyrimidine-2-carboxamide (PubChem CID 12562157) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4,6-dimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethylpyrimidine-2-carboxamide
PubChem CID12562157
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4,6-dimethylpyrimidine-2-carboxamide
SMILESCc1cc(C)nc(C(N)=O)n1
InChIInChI=1S/C7H9N3O/c1-4-3-5(2)10-7(9-4)6(8)11/h3H,1-2H3,(H2,8,11)
InChIKeyGQSYNOBFTDVBDM-UHFFFAOYSA-N
XLogP0.19
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyrimidine-2-carboxamide?
The IUPAC name of 4,6-dimethylpyrimidine-2-carboxamide (CID 12562157) is 4,6-dimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4,6-dimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4,6-dimethylpyrimidine-2-carboxamide is Cc1cc(C)nc(C(N)=O)n1.
What is the InChIKey of 4,6-dimethylpyrimidine-2-carboxamide?
The InChIKey is GQSYNOBFTDVBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-4-3-5(2)10-7(9-4)6(8)11/h3H,1-2H3,(H2,8,11).
What are the key properties of 4,6-dimethylpyrimidine-2-carboxamide?
4,6-dimethylpyrimidine-2-carboxamide has a molecular weight of 151.17 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 12562157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).