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

C19H24N4O3 — CID 89489869

IUPAC(4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOc1ccccc1[C@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1
InChIInChI=1S/C19H24N4O3/c1-12(2)15-11-26-19(24)23(15)17-9-10-20-18(22-17)21-13(3)14-7-5-6-8-16(14)25-4/h5-10,12-13,15H,11H2,1-4H3,(H,20,21,22)/t13-,15+/m0/s1
InChIKeyKDESFVQFLBRKMV-DZGCQCFKSA-N
MW356.43 g/mol
LogP3.64
Rot. Bonds6

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

(4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89489869) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89489869
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOc1ccccc1[C@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1
InChIInChI=1S/C19H24N4O3/c1-12(2)15-11-26-19(24)23(15)17-9-10-20-18(22-17)21-13(3)14-7-5-6-8-16(14)25-4/h5-10,12-13,15H,11H2,1-4H3,(H,20,21,22)/t13-,15+/m0/s1
InChIKeyKDESFVQFLBRKMV-DZGCQCFKSA-N
XLogP3.64
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89489869) is (4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is COc1ccccc1[C@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is KDESFVQFLBRKMV-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(2)15-11-26-19(24)23(15)17-9-10-20-18(22-17)21-13(3)14-7-5-6-8-16(14)25-4/h5-10,12-13,15H,11H2,1-4H3,(H,20,21,22)/t13-,15+/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 356.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).