4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one

C10H14IN3O3 — CID 136783254

IUPAC4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2I)CC(CO)O1
InChIInChI=1S/C10H14IN3O3/c1-6-2-14(3-7(4-15)17-6)9-8(11)10(16)13-5-12-9/h5-7,15H,2-4H2,1H3,(H,12,13,16)
InChIKeyMSBCYAHYYWHSQO-UHFFFAOYSA-N
MW351.14 g/mol
LogP-0.04
Rot. Bonds2

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

4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136783254) has the molecular formula C10H14IN3O3 and a molecular weight of 351.14 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
PubChem CID136783254
Molecular FormulaC10H14IN3O3
Molecular Weight351.14 g/mol
Exact Mass351.01
IUPAC Name4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2I)CC(CO)O1
InChIInChI=1S/C10H14IN3O3/c1-6-2-14(3-7(4-15)17-6)9-8(11)10(16)13-5-12-9/h5-7,15H,2-4H2,1H3,(H,12,13,16)
InChIKeyMSBCYAHYYWHSQO-UHFFFAOYSA-N
XLogP-0.04
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.14
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136783250
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783253
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783271
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136825657
4-(1,4-dioxan-2-ylmethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956240
5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956888
4-(2-ethylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957492
4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136958037
5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136958039
4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136958040
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136958054
4-(2,5-dimethylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one
CID 136970790

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one (CID 136783254) is 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one is CC1CN(c2nc[nH]c(=O)c2I)CC(CO)O1.
What is the InChIKey of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is MSBCYAHYYWHSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O3/c1-6-2-14(3-7(4-15)17-6)9-8(11)10(16)13-5-12-9/h5-7,15H,2-4H2,1H3,(H,12,13,16).
What are the key properties of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 351.14 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136783254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).