4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one

C10H14IN3O3 — CID 136675579

IUPAC4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCC1OCCC1(O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O3/c1-6-10(16,2-3-17-6)4-12-8-7(11)9(15)14-5-13-8/h5-6,16H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyPZVVXWQYLGFRLM-UHFFFAOYSA-N
MW351.14 g/mol
LogP0.33
Rot. Bonds3

About 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one

4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136675579) has the molecular formula C10H14IN3O3 and a molecular weight of 351.14 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136675579
Molecular FormulaC10H14IN3O3
Molecular Weight351.14 g/mol
Exact Mass351.01
IUPAC Name4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCC1OCCC1(O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O3/c1-6-10(16,2-3-17-6)4-12-8-7(11)9(15)14-5-13-8/h5-6,16H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyPZVVXWQYLGFRLM-UHFFFAOYSA-N
XLogP0.33
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.14
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675559
4-[(3-hydroxyoxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136675569
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675570
5-bromo-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675571
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136675574
5-amino-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675575
5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675577
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136864253
5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905788
5-iodo-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136957246
4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136981164
4-[(4-hydroxyoxan-4-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136994012

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one (CID 136675579) is 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one is CC1OCCC1(O)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is PZVVXWQYLGFRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O3/c1-6-10(16,2-3-17-6)4-12-8-7(11)9(15)14-5-13-8/h5-6,16H,2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 351.14 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136675579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).