N-pyrimidin-2-ylcyclobutanecarboxamide

C9H11N3O — CID 4117824

IUPACN-pyrimidin-2-ylcyclobutanecarboxamide
SMILESO=C(Nc1ncccn1)C1CCC1
InChIInChI=1S/C9H11N3O/c13-8(7-3-1-4-7)12-9-10-5-2-6-11-9/h2,5-7H,1,3-4H2,(H,10,11,12,13)
InChIKeyHFDPXJDCYDOYGM-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.22
Rot. Bonds2

About N-pyrimidin-2-ylcyclobutanecarboxamide

N-pyrimidin-2-ylcyclobutanecarboxamide (PubChem CID 4117824) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-pyrimidin-2-ylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-pyrimidin-2-ylcyclobutanecarboxamide
PubChem CID4117824
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-pyrimidin-2-ylcyclobutanecarboxamide
SMILESO=C(Nc1ncccn1)C1CCC1
InChIInChI=1S/C9H11N3O/c13-8(7-3-1-4-7)12-9-10-5-2-6-11-9/h2,5-7H,1,3-4H2,(H,10,11,12,13)
InChIKeyHFDPXJDCYDOYGM-UHFFFAOYSA-N
XLogP1.22
TPSA54.88 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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-ylcyclobutanecarboxamide?
The IUPAC name of N-pyrimidin-2-ylcyclobutanecarboxamide (CID 4117824) is N-pyrimidin-2-ylcyclobutanecarboxamide.
What is the SMILES notation for N-pyrimidin-2-ylcyclobutanecarboxamide?
The canonical SMILES for N-pyrimidin-2-ylcyclobutanecarboxamide is O=C(Nc1ncccn1)C1CCC1.
What is the InChIKey of N-pyrimidin-2-ylcyclobutanecarboxamide?
The InChIKey is HFDPXJDCYDOYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-8(7-3-1-4-7)12-9-10-5-2-6-11-9/h2,5-7H,1,3-4H2,(H,10,11,12,13).
What are the key properties of N-pyrimidin-2-ylcyclobutanecarboxamide?
N-pyrimidin-2-ylcyclobutanecarboxamide has a molecular weight of 177.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-ylcyclobutanecarboxamide is sourced from PubChem (CID 4117824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).