6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine

C10H14IN3O — CID 79617345

IUPAC6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine
SMILESCOC(C)c1nc(N)c(I)c(C2CC2)n1
InChIInChI=1S/C10H14IN3O/c1-5(15-2)10-13-8(6-3-4-6)7(11)9(12)14-10/h5-6H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyIZZDOYQIIORYPM-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.25
Rot. Bonds3

About 6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine

6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine (PubChem CID 79617345) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine
PubChem CID79617345
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine
SMILESCOC(C)c1nc(N)c(I)c(C2CC2)n1
InChIInChI=1S/C10H14IN3O/c1-5(15-2)10-13-8(6-3-4-6)7(11)9(12)14-10/h5-6H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyIZZDOYQIIORYPM-UHFFFAOYSA-N
XLogP2.25
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine (CID 79617345) is 6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine is COC(C)c1nc(N)c(I)c(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine?
The InChIKey is IZZDOYQIIORYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-5(15-2)10-13-8(6-3-4-6)7(11)9(12)14-10/h5-6H,3-4H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine?
6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine has a molecular weight of 319.15 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 79617345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).