3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

C22H29N5O — CID 133296932

IUPAC3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESCc1cc(N2CCN(C3CCN(c4ccccc4)C3=O)CC2)nc(C(C)C)n1
InChIInChI=1S/C22H29N5O/c1-16(2)21-23-17(3)15-20(24-21)26-13-11-25(12-14-26)19-9-10-27(22(19)28)18-7-5-4-6-8-18/h4-8,15-16,19H,9-14H2,1-3H3
InChIKeyHWNSOGPRYADTRE-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.84
Rot. Bonds4

About 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one (PubChem CID 133296932) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
PubChem CID133296932
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESCc1cc(N2CCN(C3CCN(c4ccccc4)C3=O)CC2)nc(C(C)C)n1
InChIInChI=1S/C22H29N5O/c1-16(2)21-23-17(3)15-20(24-21)26-13-11-25(12-14-26)19-9-10-27(22(19)28)18-7-5-4-6-8-18/h4-8,15-16,19H,9-14H2,1-3H3
InChIKeyHWNSOGPRYADTRE-UHFFFAOYSA-N
XLogP2.84
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one (CID 133296932) is 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one is Cc1cc(N2CCN(C3CCN(c4ccccc4)C3=O)CC2)nc(C(C)C)n1.
What is the InChIKey of 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is HWNSOGPRYADTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-16(2)21-23-17(3)15-20(24-21)26-13-11-25(12-14-26)19-9-10-27(22(19)28)18-7-5-4-6-8-18/h4-8,15-16,19H,9-14H2,1-3H3.
What are the key properties of 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 379.51 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 133296932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).