6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine

C14H12F2IN3 — CID 115528554

IUPAC6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2cccc(C(F)F)c2)nc(C2CC2)c1I
InChIInChI=1S/C14H12F2IN3/c15-12(16)8-2-1-3-9(6-8)14-19-11(7-4-5-7)10(17)13(18)20-14/h1-3,6-7,12H,4-5H2,(H2,18,19,20)
InChIKeySKSZXEAJZSOPOF-UHFFFAOYSA-N
MW387.17 g/mol
LogP4.15
Rot. Bonds3

About 6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine

6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine (PubChem CID 115528554) has the molecular formula C14H12F2IN3 and a molecular weight of 387.17 g/mol. Its IUPAC name is 6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine
PubChem CID115528554
Molecular FormulaC14H12F2IN3
Molecular Weight387.17 g/mol
Exact Mass387.00
IUPAC Name6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2cccc(C(F)F)c2)nc(C2CC2)c1I
InChIInChI=1S/C14H12F2IN3/c15-12(16)8-2-1-3-9(6-8)14-19-11(7-4-5-7)10(17)13(18)20-14/h1-3,6-7,12H,4-5H2,(H2,18,19,20)
InChIKeySKSZXEAJZSOPOF-UHFFFAOYSA-N
XLogP4.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.17
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66301746
6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66302561
2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine
CID 115528487
6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66302764
6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine
CID 107504376
2-(4-bromophenyl)-6-cyclopropyl-5-iodopyrimidin-4-amine
CID 66303584
4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine
CID 113328920
6-cyclopropyl-5-iodo-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66311425
6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine
CID 79970668
6-cyclopropyl-5-iodo-2-(4-nitrophenyl)pyrimidin-4-amine
CID 66302976
2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine
CID 113329089
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 81277655

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine (CID 115528554) is 6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine is Nc1nc(-c2cccc(C(F)F)c2)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine?
The InChIKey is SKSZXEAJZSOPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2IN3/c15-12(16)8-2-1-3-9(6-8)14-19-11(7-4-5-7)10(17)13(18)20-14/h1-3,6-7,12H,4-5H2,(H2,18,19,20).
What are the key properties of 6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine?
6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine has a molecular weight of 387.17 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine is sourced from PubChem (CID 115528554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).