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

C17H24N6O2 — CID 90347644

IUPAC(4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCn1nccc1C(C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1
InChIInChI=1S/C17H24N6O2/c1-5-22-13(6-9-19-22)12(4)20-16-18-8-7-15(21-16)23-14(11(2)3)10-25-17(23)24/h6-9,11-12,14H,5,10H2,1-4H3,(H,18,20,21)/t12?,14-/m1/s1
InChIKeyKBBKNWCHENNLMP-TYZXPVIJSA-N
MW344.42 g/mol
LogP2.85
Rot. Bonds6

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

(4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 90347644) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID90347644
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCn1nccc1C(C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1
InChIInChI=1S/C17H24N6O2/c1-5-22-13(6-9-19-22)12(4)20-16-18-8-7-15(21-16)23-14(11(2)3)10-25-17(23)24/h6-9,11-12,14H,5,10H2,1-4H3,(H,18,20,21)/t12?,14-/m1/s1
InChIKeyKBBKNWCHENNLMP-TYZXPVIJSA-N
XLogP2.85
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 90347644) is (4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CCn1nccc1C(C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1.
What is the InChIKey of (4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is KBBKNWCHENNLMP-TYZXPVIJSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-5-22-13(6-9-19-22)12(4)20-16-18-8-7-15(21-16)23-14(11(2)3)10-25-17(23)24/h6-9,11-12,14H,5,10H2,1-4H3,(H,18,20,21)/t12?,14-/m1/s1.
What are the key properties of (4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[1-(2-ethylpyrazol-3-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 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90347644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).