6-(4-iodoimidazol-1-yl)pyrimidin-4-amine

C7H6IN5 — CID 141429661

IUPAC6-(4-iodoimidazol-1-yl)pyrimidin-4-amine
SMILESNc1cc(-n2cnc(I)c2)ncn1
InChIInChI=1S/C7H6IN5/c8-5-2-13(4-12-5)7-1-6(9)10-3-11-7/h1-4H,(H2,9,10,11)
InChIKeyYBXZOSGXFOIOAO-UHFFFAOYSA-N
MW287.06 g/mol
LogP0.85
Rot. Bonds1

About 6-(4-iodoimidazol-1-yl)pyrimidin-4-amine

6-(4-iodoimidazol-1-yl)pyrimidin-4-amine (PubChem CID 141429661) has the molecular formula C7H6IN5 and a molecular weight of 287.06 g/mol. Its IUPAC name is 6-(4-iodoimidazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-iodoimidazol-1-yl)pyrimidin-4-amine
PubChem CID141429661
Molecular FormulaC7H6IN5
Molecular Weight287.06 g/mol
Exact Mass286.97
IUPAC Name6-(4-iodoimidazol-1-yl)pyrimidin-4-amine
SMILESNc1cc(-n2cnc(I)c2)ncn1
InChIInChI=1S/C7H6IN5/c8-5-2-13(4-12-5)7-1-6(9)10-3-11-7/h1-4H,(H2,9,10,11)
InChIKeyYBXZOSGXFOIOAO-UHFFFAOYSA-N
XLogP0.85
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674394
6-thiomorpholin-4-ylpyrimidin-4-amine
CID 13394191
1-(6-aminopyrimidin-4-yl)imidazolidin-4-one
CID 155440182
6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine
CID 114561957
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine
CID 129261237
6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 78929760
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine
CID 121206002
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-4-amine
CID 81470283
6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 78929973
6-(2-ethylimidazol-1-yl)pyrimidin-4-amine
CID 80857532
6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine
CID 78929951

Frequently Asked Questions

What is the IUPAC name of 6-(4-iodoimidazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-(4-iodoimidazol-1-yl)pyrimidin-4-amine (CID 141429661) is 6-(4-iodoimidazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-iodoimidazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-iodoimidazol-1-yl)pyrimidin-4-amine is Nc1cc(-n2cnc(I)c2)ncn1.
What is the InChIKey of 6-(4-iodoimidazol-1-yl)pyrimidin-4-amine?
The InChIKey is YBXZOSGXFOIOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN5/c8-5-2-13(4-12-5)7-1-6(9)10-3-11-7/h1-4H,(H2,9,10,11).
What are the key properties of 6-(4-iodoimidazol-1-yl)pyrimidin-4-amine?
6-(4-iodoimidazol-1-yl)pyrimidin-4-amine has a molecular weight of 287.06 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodoimidazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 141429661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).