2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one

C14H16N4O4 — CID 136844565

IUPAC2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2COCCN2C(=O)c2ncoc2C)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O4/c1-8-13(15-7-22-8)14(20)18-3-4-21-6-11(18)10-5-12(19)17-9(2)16-10/h5,7,11H,3-4,6H2,1-2H3,(H,16,17,19)
InChIKeyYCRWMSYIYLIIFG-UHFFFAOYSA-N
MW304.31 g/mol
LogP0.59
Rot. Bonds2

About 2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136844565) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
PubChem CID136844565
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2COCCN2C(=O)c2ncoc2C)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O4/c1-8-13(15-7-22-8)14(20)18-3-4-21-6-11(18)10-5-12(19)17-9(2)16-10/h5,7,11H,3-4,6H2,1-2H3,(H,16,17,19)
InChIKeyYCRWMSYIYLIIFG-UHFFFAOYSA-N
XLogP0.59
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one (CID 136844565) is 2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one is Cc1nc(C2COCCN2C(=O)c2ncoc2C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is YCRWMSYIYLIIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-8-13(15-7-22-8)14(20)18-3-4-21-6-11(18)10-5-12(19)17-9(2)16-10/h5,7,11H,3-4,6H2,1-2H3,(H,16,17,19).
What are the key properties of 2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 304.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136844565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).