N-pyrimidin-2-ylhexanamide

C10H15N3O — CID 4250539

IUPACN-pyrimidin-2-ylhexanamide
SMILESCCCCCC(=O)Nc1ncccn1
InChIInChI=1S/C10H15N3O/c1-2-3-4-6-9(14)13-10-11-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3,(H,11,12,13,14)
InChIKeyZAFYVKGUCFBTOK-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.00
Rot. Bonds5

About N-pyrimidin-2-ylhexanamide

N-pyrimidin-2-ylhexanamide (PubChem CID 4250539) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-pyrimidin-2-ylhexanamide.

Molecular Properties

Compound NameN-pyrimidin-2-ylhexanamide
PubChem CID4250539
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-pyrimidin-2-ylhexanamide
SMILESCCCCCC(=O)Nc1ncccn1
InChIInChI=1S/C10H15N3O/c1-2-3-4-6-9(14)13-10-11-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3,(H,11,12,13,14)
InChIKeyZAFYVKGUCFBTOK-UHFFFAOYSA-N
XLogP2.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-ylhexanamide?
The IUPAC name of N-pyrimidin-2-ylhexanamide (CID 4250539) is N-pyrimidin-2-ylhexanamide.
What is the SMILES notation for N-pyrimidin-2-ylhexanamide?
The canonical SMILES for N-pyrimidin-2-ylhexanamide is CCCCCC(=O)Nc1ncccn1.
What is the InChIKey of N-pyrimidin-2-ylhexanamide?
The InChIKey is ZAFYVKGUCFBTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-3-4-6-9(14)13-10-11-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3,(H,11,12,13,14).
What are the key properties of N-pyrimidin-2-ylhexanamide?
N-pyrimidin-2-ylhexanamide has a molecular weight of 193.25 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-ylhexanamide is sourced from PubChem (CID 4250539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).