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

C11H16IN3O — CID 116729911

IUPAC6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine
SMILESCCC(OC)c1nc(N)c(I)c(C2CC2)n1
InChIInChI=1S/C11H16IN3O/c1-3-7(16-2)11-14-9(6-4-5-6)8(12)10(13)15-11/h6-7H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyPFJADSZLBVOQMB-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.64
Rot. Bonds4

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

6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine (PubChem CID 116729911) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine
PubChem CID116729911
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine
SMILESCCC(OC)c1nc(N)c(I)c(C2CC2)n1
InChIInChI=1S/C11H16IN3O/c1-3-7(16-2)11-14-9(6-4-5-6)8(12)10(13)15-11/h6-7H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyPFJADSZLBVOQMB-UHFFFAOYSA-N
XLogP2.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.64
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-methoxypropyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine (CID 116729911) is 6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine is CCC(OC)c1nc(N)c(I)c(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine?
The InChIKey is PFJADSZLBVOQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-3-7(16-2)11-14-9(6-4-5-6)8(12)10(13)15-11/h6-7H,3-5H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine?
6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine has a molecular weight of 333.17 g/mol, XLogP of 2.64, 4 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-methoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 116729911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).