3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H26N4O3 — CID 130274237

IUPAC3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOc1ccc2cc([C@H](C)Nc3nccc(N4C(=O)OCC4C(C)C)n3)ccc2c1
InChIInChI=1S/C23H26N4O3/c1-14(2)20-13-30-23(28)27(20)21-9-10-24-22(26-21)25-15(3)16-5-6-18-12-19(29-4)8-7-17(18)11-16/h5-12,14-15,20H,13H2,1-4H3,(H,24,25,26)/t15-,20?/m0/s1
InChIKeyWLNOXYPHSLDGRE-OOJLDXBWSA-N
MW406.49 g/mol
LogP4.79
Rot. Bonds6

About 3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 130274237) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID130274237
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOc1ccc2cc([C@H](C)Nc3nccc(N4C(=O)OCC4C(C)C)n3)ccc2c1
InChIInChI=1S/C23H26N4O3/c1-14(2)20-13-30-23(28)27(20)21-9-10-24-22(26-21)25-15(3)16-5-6-18-12-19(29-4)8-7-17(18)11-16/h5-12,14-15,20H,13H2,1-4H3,(H,24,25,26)/t15-,20?/m0/s1
InChIKeyWLNOXYPHSLDGRE-OOJLDXBWSA-N
XLogP4.79
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 130274237) is 3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is COc1ccc2cc([C@H](C)Nc3nccc(N4C(=O)OCC4C(C)C)n3)ccc2c1.
What is the InChIKey of 3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is WLNOXYPHSLDGRE-OOJLDXBWSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-14(2)20-13-30-23(28)27(20)21-9-10-24-22(26-21)25-15(3)16-5-6-18-12-19(29-4)8-7-17(18)11-16/h5-12,14-15,20H,13H2,1-4H3,(H,24,25,26)/t15-,20?/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 406.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130274237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).