4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one

C13H19N3O — CID 116976055

IUPAC4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one
SMILESCCCc1cnc(NC2CCC(=O)CC2)nc1
InChIInChI=1S/C13H19N3O/c1-2-3-10-8-14-13(15-9-10)16-11-4-6-12(17)7-5-11/h8-9,11H,2-7H2,1H3,(H,14,15,16)
InChIKeyWKLGSHXWBJVSSN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.35
Rot. Bonds4

About 4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one

4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one (PubChem CID 116976055) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one
PubChem CID116976055
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one
SMILESCCCc1cnc(NC2CCC(=O)CC2)nc1
InChIInChI=1S/C13H19N3O/c1-2-3-10-8-14-13(15-9-10)16-11-4-6-12(17)7-5-11/h8-9,11H,2-7H2,1H3,(H,14,15,16)
InChIKeyWKLGSHXWBJVSSN-UHFFFAOYSA-N
XLogP2.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one?
The IUPAC name of 4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one (CID 116976055) is 4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one is CCCc1cnc(NC2CCC(=O)CC2)nc1.
What is the InChIKey of 4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one?
The InChIKey is WKLGSHXWBJVSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-3-10-8-14-13(15-9-10)16-11-4-6-12(17)7-5-11/h8-9,11H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one?
4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-propylpyrimidin-2-yl)amino]cyclohexan-1-one is sourced from PubChem (CID 116976055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).