6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine

C15H24IN3O — CID 116777418

IUPAC6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine
SMILESCCC(CC)(OC)c1nc(N)c(I)c(C2CCCC2)n1
InChIInChI=1S/C15H24IN3O/c1-4-15(5-2,20-3)14-18-12(10-8-6-7-9-10)11(16)13(17)19-14/h10H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyXZQPPXMYCUSIAO-UHFFFAOYSA-N
MW389.28 g/mol
LogP3.98
Rot. Bonds5

About 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine

6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine (PubChem CID 116777418) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine
PubChem CID116777418
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine
SMILESCCC(CC)(OC)c1nc(N)c(I)c(C2CCCC2)n1
InChIInChI=1S/C15H24IN3O/c1-4-15(5-2,20-3)14-18-12(10-8-6-7-9-10)11(16)13(17)19-14/h10H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyXZQPPXMYCUSIAO-UHFFFAOYSA-N
XLogP3.98
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 53.98
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-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine (CID 116777418) is 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine is CCC(CC)(OC)c1nc(N)c(I)c(C2CCCC2)n1.
What is the InChIKey of 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine?
The InChIKey is XZQPPXMYCUSIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3O/c1-4-15(5-2,20-3)14-18-12(10-8-6-7-9-10)11(16)13(17)19-14/h10H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine?
6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine has a molecular weight of 389.28 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 116777418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).