3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one

C19H28N6O2 — CID 133402560

IUPAC3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCOCc1cc(NC2CCN(c3cc(C)nn3C)C2=O)nc(C(C)(C)C)n1
InChIInChI=1S/C19H28N6O2/c1-12-9-16(24(5)23-12)25-8-7-14(17(25)26)21-15-10-13(11-27-6)20-18(22-15)19(2,3)4/h9-10,14H,7-8,11H2,1-6H3,(H,20,21,22)
InChIKeyGCWJETGHQGPTGT-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.18
Rot. Bonds5

About 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one

3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 133402560) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID133402560
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCOCc1cc(NC2CCN(c3cc(C)nn3C)C2=O)nc(C(C)(C)C)n1
InChIInChI=1S/C19H28N6O2/c1-12-9-16(24(5)23-12)25-8-7-14(17(25)26)21-15-10-13(11-27-6)20-18(22-15)19(2,3)4/h9-10,14H,7-8,11H2,1-6H3,(H,20,21,22)
InChIKeyGCWJETGHQGPTGT-UHFFFAOYSA-N
XLogP2.18
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one (CID 133402560) is 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one is COCc1cc(NC2CCN(c3cc(C)nn3C)C2=O)nc(C(C)(C)C)n1.
What is the InChIKey of 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is GCWJETGHQGPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-12-9-16(24(5)23-12)25-8-7-14(17(25)26)21-15-10-13(11-27-6)20-18(22-15)19(2,3)4/h9-10,14H,7-8,11H2,1-6H3,(H,20,21,22).
What are the key properties of 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 372.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 133402560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).