5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one

C13H19N3O — CID 84696947

IUPAC5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CCCCN2)ncc1C1CC1
InChIInChI=1S/C13H19N3O/c17-13-11(9-4-5-9)8-15-12(16-13)7-10-3-1-2-6-14-10/h8-10,14H,1-7H2,(H,15,16,17)
InChIKeyBBJADGJNDMCIFC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.33
Rot. Bonds3

About 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one

5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 84696947) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID84696947
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CCCCN2)ncc1C1CC1
InChIInChI=1S/C13H19N3O/c17-13-11(9-4-5-9)8-15-12(16-13)7-10-3-1-2-6-14-10/h8-10,14H,1-7H2,(H,15,16,17)
InChIKeyBBJADGJNDMCIFC-UHFFFAOYSA-N
XLogP1.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one
CID 153979522
5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 169149103
2-methyl-5-piperidin-2-yl-1H-pyrimidin-6-one
CID 82401864
5-(3-aminopropyl)-2-cyclohexyl-1H-pyrimidin-6-one
CID 84081801
2-(2-aminoethyl)-5-cyclopropyl-1H-pyrimidin-6-one
CID 84656988
2-(azetidin-3-yl)-5-cyclopropyl-1H-pyrimidin-6-one
CID 84663296
2-(2-aminopropyl)-5-cyclopropyl-1H-pyrimidin-6-one
CID 84664931
2-(2-aminoethyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 84666369
5-cyclopropyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84673325
5-cyclopropyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 84673326
2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one
CID 84673327
5-ethyl-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 84675417

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one (CID 84696947) is 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one is O=c1[nH]c(CC2CCCCN2)ncc1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is BBJADGJNDMCIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13-11(9-4-5-9)8-15-12(16-13)7-10-3-1-2-6-14-10/h8-10,14H,1-7H2,(H,15,16,17).
What are the key properties of 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 233.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84696947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).