(4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H26N4O2 — CID 89489746

IUPAC(4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1cnc(N[C@@H](C)c2ccc3ccccc3c2)nc1N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C23H26N4O2/c1-14(2)20-13-29-23(28)27(20)21-15(3)12-24-22(26-21)25-16(4)18-10-9-17-7-5-6-8-19(17)11-18/h5-12,14,16,20H,13H2,1-4H3,(H,24,25,26)/t16-,20+/m0/s1
InChIKeyBMZRUCAHSHVMIG-OXJNMPFZSA-N
MW390.49 g/mol
LogP5.09
Rot. Bonds5

About (4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89489746) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89489746
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1cnc(N[C@@H](C)c2ccc3ccccc3c2)nc1N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C23H26N4O2/c1-14(2)20-13-29-23(28)27(20)21-15(3)12-24-22(26-21)25-16(4)18-10-9-17-7-5-6-8-19(17)11-18/h5-12,14,16,20H,13H2,1-4H3,(H,24,25,26)/t16-,20+/m0/s1
InChIKeyBMZRUCAHSHVMIG-OXJNMPFZSA-N
XLogP5.09
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89489746) is (4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1cnc(N[C@@H](C)c2ccc3ccccc3c2)nc1N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is BMZRUCAHSHVMIG-OXJNMPFZSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14(2)20-13-29-23(28)27(20)21-15(3)12-24-22(26-21)25-16(4)18-10-9-17-7-5-6-8-19(17)11-18/h5-12,14,16,20H,13H2,1-4H3,(H,24,25,26)/t16-,20+/m0/s1.
What are the key properties of (4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 390.49 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).