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

C18H22N4O2 — CID 136881480

IUPAC2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCC(C)(C)C(=O)N1CCCC1c1nc(-c2ccccn2)cc(=O)[nH]1
InChIInChI=1S/C18H22N4O2/c1-18(2,3)17(24)22-10-6-8-14(22)16-20-13(11-15(23)21-16)12-7-4-5-9-19-12/h4-5,7,9,11,14H,6,8,10H2,1-3H3,(H,20,21,23)
InChIKeyHRYKEMCMUKZSMD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.54
Rot. Bonds2

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

2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 136881480) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID136881480
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCC(C)(C)C(=O)N1CCCC1c1nc(-c2ccccn2)cc(=O)[nH]1
InChIInChI=1S/C18H22N4O2/c1-18(2,3)17(24)22-10-6-8-14(22)16-20-13(11-15(23)21-16)12-7-4-5-9-19-12/h4-5,7,9,11,14H,6,8,10H2,1-3H3,(H,20,21,23)
InChIKeyHRYKEMCMUKZSMD-UHFFFAOYSA-N
XLogP2.54
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (CID 136881480) is 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is CC(C)(C)C(=O)N1CCCC1c1nc(-c2ccccn2)cc(=O)[nH]1.
What is the InChIKey of 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is HRYKEMCMUKZSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-18(2,3)17(24)22-10-6-8-14(22)16-20-13(11-15(23)21-16)12-7-4-5-9-19-12/h4-5,7,9,11,14H,6,8,10H2,1-3H3,(H,20,21,23).
What are the key properties of 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 326.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136881480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).