(4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C16H24N4O3 — CID 90349538

IUPAC(4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)C1CCCO1
InChIInChI=1S/C16H24N4O3/c1-10(2)12-9-23-16(21)20(12)14-6-7-17-15(19-14)18-11(3)13-5-4-8-22-13/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,17,18,19)/t11?,12-,13?/m1/s1
InChIKeyMLZGJRWEZJAROF-OTTFEQOBSA-N
MW320.39 g/mol
LogP2.44
Rot. Bonds5

About (4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 90349538) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID90349538
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)C1CCCO1
InChIInChI=1S/C16H24N4O3/c1-10(2)12-9-23-16(21)20(12)14-6-7-17-15(19-14)18-11(3)13-5-4-8-22-13/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,17,18,19)/t11?,12-,13?/m1/s1
InChIKeyMLZGJRWEZJAROF-OTTFEQOBSA-N
XLogP2.44
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 90349538) is (4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)C1CCCO1.
What is the InChIKey of (4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MLZGJRWEZJAROF-OTTFEQOBSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10(2)12-9-23-16(21)20(12)14-6-7-17-15(19-14)18-11(3)13-5-4-8-22-13/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,17,18,19)/t11?,12-,13?/m1/s1.
What are the key properties of (4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 320.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90349538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).