4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one

C15H23N3O4 — CID 137145723

IUPAC4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(CC3(O)CCOCC3)CCO2)cc(=O)[nH]1
InChIInChI=1S/C15H23N3O4/c1-11-16-12(8-14(19)17-11)13-9-18(4-7-22-13)10-15(20)2-5-21-6-3-15/h8,13,20H,2-7,9-10H2,1H3,(H,16,17,19)/t13-/m0/s1
InChIKeyMCOYPGWQDDUULC-ZDUSSCGKSA-N
MW309.37 g/mol
LogP-0.01
Rot. Bonds3

About 4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one

4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137145723) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137145723
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(CC3(O)CCOCC3)CCO2)cc(=O)[nH]1
InChIInChI=1S/C15H23N3O4/c1-11-16-12(8-14(19)17-11)13-9-18(4-7-22-13)10-15(20)2-5-21-6-3-15/h8,13,20H,2-7,9-10H2,1H3,(H,16,17,19)/t13-/m0/s1
InChIKeyMCOYPGWQDDUULC-ZDUSSCGKSA-N
XLogP-0.01
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (CID 137145723) is 4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc([C@@H]2CN(CC3(O)CCOCC3)CCO2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is MCOYPGWQDDUULC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-11-16-12(8-14(19)17-11)13-9-18(4-7-22-13)10-15(20)2-5-21-6-3-15/h8,13,20H,2-7,9-10H2,1H3,(H,16,17,19)/t13-/m0/s1.
What are the key properties of 4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 309.37 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4-[(4-hydroxyoxan-4-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137145723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).