2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one

C16H25N3O2 — CID 136816577

IUPAC2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(C2CCCN2C(=O)C(C)(C)C)n1
InChIInChI=1S/C16H25N3O2/c1-10(2)11-9-13(20)18-14(17-11)12-7-6-8-19(12)15(21)16(3,4)5/h9-10,12H,6-8H2,1-5H3,(H,17,18,20)
InChIKeyQAFHOZHCZQWGHP-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.60
Rot. Bonds2

About 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one

2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136816577) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136816577
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(C2CCCN2C(=O)C(C)(C)C)n1
InChIInChI=1S/C16H25N3O2/c1-10(2)11-9-13(20)18-14(17-11)12-7-6-8-19(12)15(21)16(3,4)5/h9-10,12H,6-8H2,1-5H3,(H,17,18,20)
InChIKeyQAFHOZHCZQWGHP-UHFFFAOYSA-N
XLogP2.60
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one (CID 136816577) is 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(C2CCCN2C(=O)C(C)(C)C)n1.
What is the InChIKey of 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is QAFHOZHCZQWGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10(2)11-9-13(20)18-14(17-11)12-7-6-8-19(12)15(21)16(3,4)5/h9-10,12H,6-8H2,1-5H3,(H,17,18,20).
What are the key properties of 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 291.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136816577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).