5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one

C12H19N3O — CID 84686957

IUPAC5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(CC2CCCN2)[nH]c1=O
InChIInChI=1S/C12H19N3O/c1-8(2)10-7-14-11(15-12(10)16)6-9-4-3-5-13-9/h7-9,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyJJYPWBLCUBHNHR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.19
Rot. Bonds3

About 5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one

5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 84686957) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID84686957
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(CC2CCCN2)[nH]c1=O
InChIInChI=1S/C12H19N3O/c1-8(2)10-7-14-11(15-12(10)16)6-9-4-3-5-13-9/h7-9,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyJJYPWBLCUBHNHR-UHFFFAOYSA-N
XLogP1.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]-5-ethyl-1H-pyrimidin-6-one
CID 169149090
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-ethyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84664919
2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one
CID 144503930
2-(2-azabicyclo[2.1.1]hexan-4-yl)-5-ethyl-1H-pyrimidin-6-one
CID 169148552
5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 169149103
5-ethyl-2-hexan-3-yl-1H-pyrimidin-6-one
CID 177910407
2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 59304193
4-hydroxy-5-propan-2-yl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555352
5-(2-aminoethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 83852039
5-(2-aminoethyl)-2-cyclopentyl-1H-pyrimidin-6-one
CID 83852181
2-cyclobutyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 84120059

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one (CID 84686957) is 5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one is CC(C)c1cnc(CC2CCCN2)[nH]c1=O.
What is the InChIKey of 5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is JJYPWBLCUBHNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)10-7-14-11(15-12(10)16)6-9-4-3-5-13-9/h7-9,13H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one?
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84686957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).