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

C9H12IN3O3 — CID 136958037

IUPAC4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCOC(CO)C2)c1I
InChIInChI=1S/C9H12IN3O3/c10-7-8(11-5-12-9(7)15)13-1-2-16-6(3-13)4-14/h5-6,14H,1-4H2,(H,11,12,15)
InChIKeyPLTRSQBTDADVSL-UHFFFAOYSA-N
MW337.12 g/mol
LogP-0.43
Rot. Bonds2

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

4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136958037) has the molecular formula C9H12IN3O3 and a molecular weight of 337.12 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
PubChem CID136958037
Molecular FormulaC9H12IN3O3
Molecular Weight337.12 g/mol
Exact Mass336.99
IUPAC Name4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCOC(CO)C2)c1I
InChIInChI=1S/C9H12IN3O3/c10-7-8(11-5-12-9(7)15)13-1-2-16-6(3-13)4-14/h5-6,14H,1-4H2,(H,11,12,15)
InChIKeyPLTRSQBTDADVSL-UHFFFAOYSA-N
XLogP-0.43
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.12
LogP ≤ 5-0.43
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-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136766524
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-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783254
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
4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956547
4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956912
4-(2-ethylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957492
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one (CID 136958037) is 4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCOC(CO)C2)c1I.
What is the InChIKey of 4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is PLTRSQBTDADVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O3/c10-7-8(11-5-12-9(7)15)13-1-2-16-6(3-13)4-14/h5-6,14H,1-4H2,(H,11,12,15).
What are the key properties of 4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one?
4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 337.12 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136958037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).