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

C16H22N6O2 — CID 89490084

IUPAC(4S)-3-[2-[1-(1-methylpyrazol-4-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)c1cnn(C)c1
InChIInChI=1S/C16H22N6O2/c1-10(2)13-9-24-16(23)22(13)14-5-6-17-15(20-14)19-11(3)12-7-18-21(4)8-12/h5-8,10-11,13H,9H2,1-4H3,(H,17,19,20)/t11?,13-/m1/s1
InChIKeyATCXQKORKOSROC-GLGOKHISSA-N
MW330.39 g/mol
LogP2.36
Rot. Bonds5

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

(4S)-3-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89490084) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (4S)-3-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89490084
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(4S)-3-[2-[1-(1-methylpyrazol-4-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)c1cnn(C)c1
InChIInChI=1S/C16H22N6O2/c1-10(2)13-9-24-16(23)22(13)14-5-6-17-15(20-14)19-11(3)12-7-18-21(4)8-12/h5-8,10-11,13H,9H2,1-4H3,(H,17,19,20)/t11?,13-/m1/s1
InChIKeyATCXQKORKOSROC-GLGOKHISSA-N
XLogP2.36
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89490084) is (4S)-3-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[1-(1-methylpyrazol-4-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)c1cnn(C)c1.
What is the InChIKey of (4S)-3-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ATCXQKORKOSROC-GLGOKHISSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-10(2)13-9-24-16(23)22(13)14-5-6-17-15(20-14)19-11(3)12-7-18-21(4)8-12/h5-8,10-11,13H,9H2,1-4H3,(H,17,19,20)/t11?,13-/m1/s1.
What are the key properties of (4S)-3-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 330.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89490084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).