3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C20H27N5O2 — CID 130285356

IUPAC3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1c1ccnc(NCc2ccc(C(C)(C)C)nc2)n1
InChIInChI=1S/C20H27N5O2/c1-13(2)15-12-27-19(26)25(15)17-8-9-21-18(24-17)23-11-14-6-7-16(22-10-14)20(3,4)5/h6-10,13,15H,11-12H2,1-5H3,(H,21,23,24)
InChIKeyWJDFBFGMUXIYIL-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.76
Rot. Bonds5

About 3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 130285356) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID130285356
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1c1ccnc(NCc2ccc(C(C)(C)C)nc2)n1
InChIInChI=1S/C20H27N5O2/c1-13(2)15-12-27-19(26)25(15)17-8-9-21-18(24-17)23-11-14-6-7-16(22-10-14)20(3,4)5/h6-10,13,15H,11-12H2,1-5H3,(H,21,23,24)
InChIKeyWJDFBFGMUXIYIL-UHFFFAOYSA-N
XLogP3.76
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 130285356) is 3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1c1ccnc(NCc2ccc(C(C)(C)C)nc2)n1.
What is the InChIKey of 3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is WJDFBFGMUXIYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13(2)15-12-27-19(26)25(15)17-8-9-21-18(24-17)23-11-14-6-7-16(22-10-14)20(3,4)5/h6-10,13,15H,11-12H2,1-5H3,(H,21,23,24).
What are the key properties of 3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 369.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130285356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).