1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one

C16H23N5O2 — CID 46988986

IUPAC1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1nc2c(N(C)CC3CC(=O)N(C(C)(C)C)C3)ncnc2o1
InChIInChI=1S/C16H23N5O2/c1-10-19-13-14(17-9-18-15(13)23-10)20(5)7-11-6-12(22)21(8-11)16(2,3)4/h9,11H,6-8H2,1-5H3
InChIKeyHOTZNAGDHXBWGG-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.01
Rot. Bonds3

About 1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one

1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 46988986) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
PubChem CID46988986
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1nc2c(N(C)CC3CC(=O)N(C(C)(C)C)C3)ncnc2o1
InChIInChI=1S/C16H23N5O2/c1-10-19-13-14(17-9-18-15(13)23-10)20(5)7-11-6-12(22)21(8-11)16(2,3)4/h9,11H,6-8H2,1-5H3
InChIKeyHOTZNAGDHXBWGG-UHFFFAOYSA-N
XLogP2.01
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one (CID 46988986) is 1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one is Cc1nc2c(N(C)CC3CC(=O)N(C(C)(C)C)C3)ncnc2o1.
What is the InChIKey of 1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is HOTZNAGDHXBWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-19-13-14(17-9-18-15(13)23-10)20(5)7-11-6-12(22)21(8-11)16(2,3)4/h9,11H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[methyl-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 46988986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).