2-amino-4,6-dimethylpyrimidine-5-carboxamide

C7H10N4O — CID 45117332

IUPAC2-amino-4,6-dimethylpyrimidine-5-carboxamide
SMILESCc1nc(N)nc(C)c1C(N)=O
InChIInChI=1S/C7H10N4O/c1-3-5(6(8)12)4(2)11-7(9)10-3/h1-2H3,(H2,8,12)(H2,9,10,11)
InChIKeySBXLLPWEWVEYQF-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.23
Rot. Bonds1

About 2-amino-4,6-dimethylpyrimidine-5-carboxamide

2-amino-4,6-dimethylpyrimidine-5-carboxamide (PubChem CID 45117332) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-amino-4,6-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4,6-dimethylpyrimidine-5-carboxamide
PubChem CID45117332
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2-amino-4,6-dimethylpyrimidine-5-carboxamide
SMILESCc1nc(N)nc(C)c1C(N)=O
InChIInChI=1S/C7H10N4O/c1-3-5(6(8)12)4(2)11-7(9)10-3/h1-2H3,(H2,8,12)(H2,9,10,11)
InChIKeySBXLLPWEWVEYQF-UHFFFAOYSA-N
XLogP-0.23
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4,6-dimethylpyrimidine-5-carboxamide (CID 45117332) is 2-amino-4,6-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4,6-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4,6-dimethylpyrimidine-5-carboxamide is Cc1nc(N)nc(C)c1C(N)=O.
What is the InChIKey of 2-amino-4,6-dimethylpyrimidine-5-carboxamide?
The InChIKey is SBXLLPWEWVEYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-3-5(6(8)12)4(2)11-7(9)10-3/h1-2H3,(H2,8,12)(H2,9,10,11).
What are the key properties of 2-amino-4,6-dimethylpyrimidine-5-carboxamide?
2-amino-4,6-dimethylpyrimidine-5-carboxamide has a molecular weight of 166.18 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 45117332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).