2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C21H25N3O2S — CID 155914238

IUPAC2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CN3C[C@@H](c4ccccc4)O[C@@H](C(C)C)C3)nc2s1
InChIInChI=1S/C21H25N3O2S/c1-14(2)18-12-23(13-19(26-18)16-7-5-4-6-8-16)11-17-9-20(25)24-10-15(3)27-21(24)22-17/h4-10,14,18-19H,11-13H2,1-3H3/t18-,19+/m1/s1
InChIKeyOXPJLYUYGCWNQC-MOPGFXCFSA-N
MW383.52 g/mol
LogP3.66
Rot. Bonds4

About 2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 155914238) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID155914238
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CN3C[C@@H](c4ccccc4)O[C@@H](C(C)C)C3)nc2s1
InChIInChI=1S/C21H25N3O2S/c1-14(2)18-12-23(13-19(26-18)16-7-5-4-6-8-16)11-17-9-20(25)24-10-15(3)27-21(24)22-17/h4-10,14,18-19H,11-13H2,1-3H3/t18-,19+/m1/s1
InChIKeyOXPJLYUYGCWNQC-MOPGFXCFSA-N
XLogP3.66
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 155914238) is 2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)cc(CN3C[C@@H](c4ccccc4)O[C@@H](C(C)C)C3)nc2s1.
What is the InChIKey of 2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OXPJLYUYGCWNQC-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-14(2)18-12-23(13-19(26-18)16-7-5-4-6-8-16)11-17-9-20(25)24-10-15(3)27-21(24)22-17/h4-10,14,18-19H,11-13H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of 2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 383.52 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 155914238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).