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

C17H24N6O2 — CID 89490031

IUPAC(4S)-3-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1nn(C)cc1C(C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1
InChIInChI=1S/C17H24N6O2/c1-10(2)14-9-25-17(24)23(14)15-6-7-18-16(20-15)19-11(3)13-8-22(5)21-12(13)4/h6-8,10-11,14H,9H2,1-5H3,(H,18,19,20)/t11?,14-/m1/s1
InChIKeyZWFBQFQZTCLMKH-SBXXRYSUSA-N
MW344.42 g/mol
LogP2.67
Rot. Bonds5

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

(4S)-3-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89490031) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (4S)-3-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89490031
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(4S)-3-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1nn(C)cc1C(C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1
InChIInChI=1S/C17H24N6O2/c1-10(2)14-9-25-17(24)23(14)15-6-7-18-16(20-15)19-11(3)13-8-22(5)21-12(13)4/h6-8,10-11,14H,9H2,1-5H3,(H,18,19,20)/t11?,14-/m1/s1
InChIKeyZWFBQFQZTCLMKH-SBXXRYSUSA-N
XLogP2.67
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89480300
(4S)-3-[2-[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489758
(4S)-3-[2-[1-[1-(4-fluorophenyl)pyrazol-4-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489967
(4S)-3-[2-[[(1S)-1-(1-benzyl-3-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490083
(4S)-3-[2-[1-(5-methyl-1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490085
(4S)-3-[2-[[(1S)-1-(1-benzyl-5-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490096
(4S)-3-[2-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347622
(4S)-3-[2-[[(1S)-1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90349544
(4S)-3-[2-[1-(1-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489821
(4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347644
2-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-{4-[(dimethylamino)methyl]-1-(pyrimidin-2-YL)pyrrolidin-3-YL}acetamide
CID 91911066
(4S)-3-[2-[1-(1-methylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490084

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89490031) is (4S)-3-[2-[1-(1,3-dimethylpyrazol-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-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1nn(C)cc1C(C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1.
What is the InChIKey of (4S)-3-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZWFBQFQZTCLMKH-SBXXRYSUSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-10(2)14-9-25-17(24)23(14)15-6-7-18-16(20-15)19-11(3)13-8-22(5)21-12(13)4/h6-8,10-11,14H,9H2,1-5H3,(H,18,19,20)/t11?,14-/m1/s1.
What are the key properties of (4S)-3-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 344.42 g/mol, XLogP of 2.67, 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-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89490031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).