ethane;5-methylpyrimidine-2-carboxamide

C8H13N3O — CID 171564722

IUPACethane;5-methylpyrimidine-2-carboxamide
SMILESCC.Cc1cnc(C(N)=O)nc1
InChIInChI=1S/C6H7N3O.C2H6/c1-4-2-8-6(5(7)10)9-3-4;1-2/h2-3H,1H3,(H2,7,10);1-2H3
InChIKeyGGBPJWFZRZLNOY-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.91
Rot. Bonds1

About ethane;5-methylpyrimidine-2-carboxamide

ethane;5-methylpyrimidine-2-carboxamide (PubChem CID 171564722) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is ethane;5-methylpyrimidine-2-carboxamide.

Molecular Properties

Compound Nameethane;5-methylpyrimidine-2-carboxamide
PubChem CID171564722
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Nameethane;5-methylpyrimidine-2-carboxamide
SMILESCC.Cc1cnc(C(N)=O)nc1
InChIInChI=1S/C6H7N3O.C2H6/c1-4-2-8-6(5(7)10)9-3-4;1-2/h2-3H,1H3,(H2,7,10);1-2H3
InChIKeyGGBPJWFZRZLNOY-UHFFFAOYSA-N
XLogP0.91
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methylpyrimidine-2-carboxamide?
The IUPAC name of ethane;5-methylpyrimidine-2-carboxamide (CID 171564722) is ethane;5-methylpyrimidine-2-carboxamide.
What is the SMILES notation for ethane;5-methylpyrimidine-2-carboxamide?
The canonical SMILES for ethane;5-methylpyrimidine-2-carboxamide is CC.Cc1cnc(C(N)=O)nc1.
What is the InChIKey of ethane;5-methylpyrimidine-2-carboxamide?
The InChIKey is GGBPJWFZRZLNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O.C2H6/c1-4-2-8-6(5(7)10)9-3-4;1-2/h2-3H,1H3,(H2,7,10);1-2H3.
What are the key properties of ethane;5-methylpyrimidine-2-carboxamide?
ethane;5-methylpyrimidine-2-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylpyrimidine-2-carboxamide is sourced from PubChem (CID 171564722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).