N-pyrimidin-2-ylcyclohexanecarboxamide

C11H15N3O — CID 819233

IUPACN-pyrimidin-2-ylcyclohexanecarboxamide
SMILESO=C(Nc1ncccn1)C1CCCCC1
InChIInChI=1S/C11H15N3O/c15-10(9-5-2-1-3-6-9)14-11-12-7-4-8-13-11/h4,7-9H,1-3,5-6H2,(H,12,13,14,15)
InChIKeyUZPHVWBRUGTIIT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.00
Rot. Bonds2

About N-pyrimidin-2-ylcyclohexanecarboxamide

N-pyrimidin-2-ylcyclohexanecarboxamide (PubChem CID 819233) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-pyrimidin-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-pyrimidin-2-ylcyclohexanecarboxamide
PubChem CID819233
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-pyrimidin-2-ylcyclohexanecarboxamide
SMILESO=C(Nc1ncccn1)C1CCCCC1
InChIInChI=1S/C11H15N3O/c15-10(9-5-2-1-3-6-9)14-11-12-7-4-8-13-11/h4,7-9H,1-3,5-6H2,(H,12,13,14,15)
InChIKeyUZPHVWBRUGTIIT-UHFFFAOYSA-N
XLogP2.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-ylcyclohexanecarboxamide?
The IUPAC name of N-pyrimidin-2-ylcyclohexanecarboxamide (CID 819233) is N-pyrimidin-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-pyrimidin-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-pyrimidin-2-ylcyclohexanecarboxamide is O=C(Nc1ncccn1)C1CCCCC1.
What is the InChIKey of N-pyrimidin-2-ylcyclohexanecarboxamide?
The InChIKey is UZPHVWBRUGTIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-10(9-5-2-1-3-6-9)14-11-12-7-4-8-13-11/h4,7-9H,1-3,5-6H2,(H,12,13,14,15).
What are the key properties of N-pyrimidin-2-ylcyclohexanecarboxamide?
N-pyrimidin-2-ylcyclohexanecarboxamide has a molecular weight of 205.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 819233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).