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

C16H20N6O2 — CID 89489997

IUPAC(4S)-4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ncccn1
InChIInChI=1S/C16H20N6O2/c1-10(2)12-9-24-16(23)22(12)13-5-8-19-15(21-13)20-11(3)14-17-6-4-7-18-14/h4-8,10-12H,9H2,1-3H3,(H,19,20,21)/t11?,12-/m1/s1
InChIKeyPMPXTMSUCDRGCA-PIJUOVFKSA-N
MW328.38 g/mol
LogP2.42
Rot. Bonds5

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

(4S)-4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 89489997) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID89489997
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name(4S)-4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ncccn1
InChIInChI=1S/C16H20N6O2/c1-10(2)12-9-24-16(23)22(12)13-5-8-19-15(21-13)20-11(3)14-17-6-4-7-18-14/h4-8,10-12H,9H2,1-3H3,(H,19,20,21)/t11?,12-/m1/s1
InChIKeyPMPXTMSUCDRGCA-PIJUOVFKSA-N
XLogP2.42
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 89489997) is (4S)-4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ncccn1.
What is the InChIKey of (4S)-4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is PMPXTMSUCDRGCA-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-10(2)12-9-24-16(23)22(12)13-5-8-19-15(21-13)20-11(3)14-17-6-4-7-18-14/h4-8,10-12H,9H2,1-3H3,(H,19,20,21)/t11?,12-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 328.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).