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

C21H29N5O2 — CID 123539403

IUPAC3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1ccc(C(C)(C)C)nc1
InChIInChI=1S/C21H29N5O2/c1-13(2)16-12-28-20(27)26(16)18-9-10-22-19(25-18)24-14(3)15-7-8-17(23-11-15)21(4,5)6/h7-11,13-14,16H,12H2,1-6H3,(H,22,24,25)
InChIKeyNXVVSOKQKZSNHO-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.32
Rot. Bonds5

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

3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 123539403) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID123539403
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1ccc(C(C)(C)C)nc1
InChIInChI=1S/C21H29N5O2/c1-13(2)16-12-28-20(27)26(16)18-9-10-22-19(25-18)24-14(3)15-7-8-17(23-11-15)21(4,5)6/h7-11,13-14,16H,12H2,1-6H3,(H,22,24,25)
InChIKeyNXVVSOKQKZSNHO-UHFFFAOYSA-N
XLogP4.32
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[(6-tert-butyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130285356
(4S)-3-[2-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479213
3-[2-[1-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 123270812
(4S)-3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730222
(4S)-4-propan-2-yl-3-[2-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89490063
(4S)-3-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490149
(4S)-3-[2-[[(1S)-1-[4-(dimethylamino)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489854
(4S)-3-[2-[1-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479370
(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130273094
(4S)-3-[2-[[(1S)-1-[4-(hydroxymethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730160
(4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135155075
(4S)-3-[2-[1-(6-piperazin-1-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 153328252

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 123539403) is 3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1ccc(C(C)(C)C)nc1.
What is the InChIKey of 3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is NXVVSOKQKZSNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-13(2)16-12-28-20(27)26(16)18-9-10-22-19(25-18)24-14(3)15-7-8-17(23-11-15)21(4,5)6/h7-11,13-14,16H,12H2,1-6H3,(H,22,24,25).
What are the key properties of 3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 383.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(6-tert-butyl-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123539403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).