3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C17H24N6O2 — CID 130285530

IUPAC3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCCCC(Nc1nccc(N2CCOC2=O)n1)c1ccn(CC)n1
InChIInChI=1S/C17H24N6O2/c1-3-5-6-13(14-8-10-22(4-2)21-14)19-16-18-9-7-15(20-16)23-11-12-25-17(23)24/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,19,20)
InChIKeyNFKONLAQVZNHOB-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.99
Rot. Bonds8

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

3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 130285530) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID130285530
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCCCC(Nc1nccc(N2CCOC2=O)n1)c1ccn(CC)n1
InChIInChI=1S/C17H24N6O2/c1-3-5-6-13(14-8-10-22(4-2)21-14)19-16-18-9-7-15(20-16)23-11-12-25-17(23)24/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,19,20)
InChIKeyNFKONLAQVZNHOB-UHFFFAOYSA-N
XLogP2.99
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 130285530) is 3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CCCCC(Nc1nccc(N2CCOC2=O)n1)c1ccn(CC)n1.
What is the InChIKey of 3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is NFKONLAQVZNHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-3-5-6-13(14-8-10-22(4-2)21-14)19-16-18-9-7-15(20-16)23-11-12-25-17(23)24/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,19,20).
What are the key properties of 3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 344.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(1-ethylpyrazol-3-yl)pentylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 130285530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).