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

C16H20N6O2 — CID 123238043

IUPAC4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OCC2C(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)
InChIKeyPMPXTMSUCDRGCA-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.42
Rot. Bonds5

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

4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 123238043) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID123238043
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OCC2C(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)
InChIKeyPMPXTMSUCDRGCA-UHFFFAOYSA-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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Related Compounds

4-propan-2-yl-3-[2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 167003976
(4S)-3-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273182
(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130273448
3-[2-[[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273074
(4S)-3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730222
3-[2-[1-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 123270812
(4S)-3-[2-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347630
(4S)-3-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490149
4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123835719
3-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90343304
(4S)-4-propan-2-yl-3-[2-[1-(4-pyrrol-1-ylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89489799
(4S)-3-[2-[[(1S)-1-[4-(dimethylamino)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489854

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 123238043) is 4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1ncccn1.
What is the InChIKey of 4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is PMPXTMSUCDRGCA-UHFFFAOYSA-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).
What are the key properties of 4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
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 4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 123238043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).