2-cyclobutylpyrimidine-4-carboxamide

C9H11N3O — CID 67177134

IUPAC2-cyclobutylpyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(C2CCC2)n1
InChIInChI=1S/C9H11N3O/c10-8(13)7-4-5-11-9(12-7)6-2-1-3-6/h4-6H,1-3H2,(H2,10,13)
InChIKeyWSRQJKCCKFSCBG-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.84
Rot. Bonds2

About 2-cyclobutylpyrimidine-4-carboxamide

2-cyclobutylpyrimidine-4-carboxamide (PubChem CID 67177134) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-cyclobutylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutylpyrimidine-4-carboxamide
PubChem CID67177134
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-cyclobutylpyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(C2CCC2)n1
InChIInChI=1S/C9H11N3O/c10-8(13)7-4-5-11-9(12-7)6-2-1-3-6/h4-6H,1-3H2,(H2,10,13)
InChIKeyWSRQJKCCKFSCBG-UHFFFAOYSA-N
XLogP0.84
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylpyrimidine-4-carboxamide?
The IUPAC name of 2-cyclobutylpyrimidine-4-carboxamide (CID 67177134) is 2-cyclobutylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclobutylpyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclobutylpyrimidine-4-carboxamide is NC(=O)c1ccnc(C2CCC2)n1.
What is the InChIKey of 2-cyclobutylpyrimidine-4-carboxamide?
The InChIKey is WSRQJKCCKFSCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-8(13)7-4-5-11-9(12-7)6-2-1-3-6/h4-6H,1-3H2,(H2,10,13).
What are the key properties of 2-cyclobutylpyrimidine-4-carboxamide?
2-cyclobutylpyrimidine-4-carboxamide has a molecular weight of 177.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylpyrimidine-4-carboxamide is sourced from PubChem (CID 67177134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).