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

C12H19N3O — CID 84686950

IUPAC5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESCC(C)Cc1cnc(C2CCCN2)[nH]c1=O
InChIInChI=1S/C12H19N3O/c1-8(2)6-9-7-14-11(15-12(9)16)10-4-3-5-13-10/h7-8,10,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyVXZXKWYBFRRTNV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.39
Rot. Bonds3

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

5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one (PubChem CID 84686950) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
PubChem CID84686950
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESCC(C)Cc1cnc(C2CCCN2)[nH]c1=O
InChIInChI=1S/C12H19N3O/c1-8(2)6-9-7-14-11(15-12(9)16)10-4-3-5-13-10/h7-8,10,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyVXZXKWYBFRRTNV-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260668
5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255768
5-tert-butyl-2-pyrrolidin-2-yl-1H-imidazole
CID 43650696
5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid
CID 129096538
2-(azepan-4-yl)-5-ethyl-1H-pyrimidin-6-one
CID 84686967
2-(5-tert-butyl-1H-imidazol-2-yl)azepane
CID 64570176
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056
5-ethynyl-2-pyrrolidin-2-yl-1H-imidazole
CID 91164756
2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride
CID 167720492
5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 116877522
5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 136764448
2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole
CID 64992969

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one (CID 84686950) is 5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one is CC(C)Cc1cnc(C2CCCN2)[nH]c1=O.
What is the InChIKey of 5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The InChIKey is VXZXKWYBFRRTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)6-9-7-14-11(15-12(9)16)10-4-3-5-13-10/h7-8,10,13H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 84686950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).