4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one

C10H15N3O4 — CID 136979791

IUPAC4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCOC(CO)C2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-16-8-9(11-6-12-10(8)15)13-2-3-17-7(4-13)5-14/h6-7,14H,2-5H2,1H3,(H,11,12,15)
InChIKeyLVLNKSNJZBKEAB-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.02
Rot. Bonds3

About 4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one

4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136979791) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136979791
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCOC(CO)C2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-16-8-9(11-6-12-10(8)15)13-2-3-17-7(4-13)5-14/h6-7,14H,2-5H2,1H3,(H,11,12,15)
InChIKeyLVLNKSNJZBKEAB-UHFFFAOYSA-N
XLogP-1.02
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136979791) is 4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCOC(CO)C2)nc[nH]c1=O.
What is the InChIKey of 4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is LVLNKSNJZBKEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-16-8-9(11-6-12-10(8)15)13-2-3-17-7(4-13)5-14/h6-7,14H,2-5H2,1H3,(H,11,12,15).
What are the key properties of 4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 241.25 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)morpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136979791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).