4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one

C10H14IN3O — CID 136857208

IUPAC4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCC1(C)CC1CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O/c1-10(2)3-6(10)4-12-8-7(11)9(15)14-5-13-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyOVGDEKLEZOHOJI-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.83
Rot. Bonds3

About 4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one

4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136857208) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136857208
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCC1(C)CC1CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O/c1-10(2)3-6(10)4-12-8-7(11)9(15)14-5-13-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyOVGDEKLEZOHOJI-UHFFFAOYSA-N
XLogP1.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one (CID 136857208) is 4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one is CC1(C)CC1CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is OVGDEKLEZOHOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-10(2)3-6(10)4-12-8-7(11)9(15)14-5-13-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 319.15 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136857208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).