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'}

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Related Compounds

6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine
CID 107504376
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 81277655
6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66302561
6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66302764
2-(4-bromophenyl)-6-cyclopropyl-5-iodopyrimidin-4-amine
CID 66303584
6-cyclopropyl-5-iodo-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66311425
6-cyclopropyl-2-(5-ethylthiophen-2-yl)-5-iodopyrimidin-4-amine
CID 66314146
6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine
CID 79970668
6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine
CID 79584322
6-ethyl-5-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806721
[4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104797956
6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938417

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).