1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one

C17H24N6O — CID 46995658

IUPAC1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCCN1CC(CNc2nccc(-c3c(C)nn(C)c3C)n2)CC1=O
InChIInChI=1S/C17H24N6O/c1-5-23-10-13(8-15(23)24)9-19-17-18-7-6-14(20-17)16-11(2)21-22(4)12(16)3/h6-7,13H,5,8-10H2,1-4H3,(H,18,19,20)
InChIKeyYUJOOTVFUDYCCX-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.77
Rot. Bonds5

About 1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one

1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 46995658) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
PubChem CID46995658
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCCN1CC(CNc2nccc(-c3c(C)nn(C)c3C)n2)CC1=O
InChIInChI=1S/C17H24N6O/c1-5-23-10-13(8-15(23)24)9-19-17-18-7-6-14(20-17)16-11(2)21-22(4)12(16)3/h6-7,13H,5,8-10H2,1-4H3,(H,18,19,20)
InChIKeyYUJOOTVFUDYCCX-UHFFFAOYSA-N
XLogP1.77
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one (CID 46995658) is 1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one is CCN1CC(CNc2nccc(-c3c(C)nn(C)c3C)n2)CC1=O.
What is the InChIKey of 1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is YUJOOTVFUDYCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-5-23-10-13(8-15(23)24)9-19-17-18-7-6-14(20-17)16-11(2)21-22(4)12(16)3/h6-7,13H,5,8-10H2,1-4H3,(H,18,19,20).
What are the key properties of 1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 46995658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).