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

C15H21N7O2 — CID 90347623

IUPAC(4S)-3-[2-[1-(4-methyl-1,2,4-triazol-3-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)c1nncn1C
InChIInChI=1S/C15H21N7O2/c1-9(2)11-7-24-15(23)22(11)12-5-6-16-14(19-12)18-10(3)13-20-17-8-21(13)4/h5-6,8-11H,7H2,1-4H3,(H,16,18,19)/t10?,11-/m1/s1
InChIKeyUAOFIAZQHWNURC-RRKGBCIJSA-N
MW331.38 g/mol
LogP1.76
Rot. Bonds5

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

(4S)-3-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 90347623) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is (4S)-3-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID90347623
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name(4S)-3-[2-[1-(4-methyl-1,2,4-triazol-3-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)c1nncn1C
InChIInChI=1S/C15H21N7O2/c1-9(2)11-7-24-15(23)22(11)12-5-6-16-14(19-12)18-10(3)13-20-17-8-21(13)4/h5-6,8-11H,7H2,1-4H3,(H,16,18,19)/t10?,11-/m1/s1
InChIKeyUAOFIAZQHWNURC-RRKGBCIJSA-N
XLogP1.76
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 90347623) is (4S)-3-[2-[1-(4-methyl-1,2,4-triazol-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-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[1-(4-methyl-1,2,4-triazol-3-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)c1nncn1C.
What is the InChIKey of (4S)-3-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is UAOFIAZQHWNURC-RRKGBCIJSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-9(2)11-7-24-15(23)22(11)12-5-6-16-14(19-12)18-10(3)13-20-17-8-21(13)4/h5-6,8-11H,7H2,1-4H3,(H,16,18,19)/t10?,11-/m1/s1.
What are the key properties of (4S)-3-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 331.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90347623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).