6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine

C12H12IN3O — CID 104806878

IUPAC6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine
SMILESCc1ccoc1-c1nc(N)c(I)c(C2CC2)n1
InChIInChI=1S/C12H12IN3O/c1-6-4-5-17-10(6)12-15-9(7-2-3-7)8(13)11(14)16-12/h4-5,7H,2-3H2,1H3,(H2,14,15,16)
InChIKeyBHYWVXZGKFZQLO-UHFFFAOYSA-N
MW341.15 g/mol
LogP3.11
Rot. Bonds2

About 6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine

6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine (PubChem CID 104806878) has the molecular formula C12H12IN3O and a molecular weight of 341.15 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine
PubChem CID104806878
Molecular FormulaC12H12IN3O
Molecular Weight341.15 g/mol
Exact Mass341.00
IUPAC Name6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine
SMILESCc1ccoc1-c1nc(N)c(I)c(C2CC2)n1
InChIInChI=1S/C12H12IN3O/c1-6-4-5-17-10(6)12-15-9(7-2-3-7)8(13)11(14)16-12/h4-5,7H,2-3H2,1H3,(H2,14,15,16)
InChIKeyBHYWVXZGKFZQLO-UHFFFAOYSA-N
XLogP3.11
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine (CID 104806878) is 6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine is Cc1ccoc1-c1nc(N)c(I)c(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
The InChIKey is BHYWVXZGKFZQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O/c1-6-4-5-17-10(6)12-15-9(7-2-3-7)8(13)11(14)16-12/h4-5,7H,2-3H2,1H3,(H2,14,15,16).
What are the key properties of 6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine?
6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine has a molecular weight of 341.15 g/mol, XLogP of 3.11, 2 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-(3-methylfuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 104806878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).