4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one

C18H26N6O — CID 46997243

IUPAC4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one
SMILESCCCn1cc(-c2ccnc(NC3CC(=O)N(C(C)C)C3)n2)c(C)n1
InChIInChI=1S/C18H26N6O/c1-5-8-23-11-15(13(4)22-23)16-6-7-19-18(21-16)20-14-9-17(25)24(10-14)12(2)3/h6-7,11-12,14H,5,8-10H2,1-4H3,(H,19,20,21)
InChIKeyLFLKIHHXGYTISS-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.48
Rot. Bonds6

About 4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one

4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 46997243) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one
PubChem CID46997243
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one
SMILESCCCn1cc(-c2ccnc(NC3CC(=O)N(C(C)C)C3)n2)c(C)n1
InChIInChI=1S/C18H26N6O/c1-5-8-23-11-15(13(4)22-23)16-6-7-19-18(21-16)20-14-9-17(25)24(10-14)12(2)3/h6-7,11-12,14H,5,8-10H2,1-4H3,(H,19,20,21)
InChIKeyLFLKIHHXGYTISS-UHFFFAOYSA-N
XLogP2.48
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one (CID 46997243) is 4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one is CCCn1cc(-c2ccnc(NC3CC(=O)N(C(C)C)C3)n2)c(C)n1.
What is the InChIKey of 4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is LFLKIHHXGYTISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-5-8-23-11-15(13(4)22-23)16-6-7-19-18(21-16)20-14-9-17(25)24(10-14)12(2)3/h6-7,11-12,14H,5,8-10H2,1-4H3,(H,19,20,21).
What are the key properties of 4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one?
4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 342.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 46997243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).