5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine

C10H12F4IN3O — CID 103476257

IUPAC5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
SMILESCNc1nc(COCC(F)(F)C(F)F)nc(C)c1I
InChIInChI=1S/C10H12F4IN3O/c1-5-7(15)8(16-2)18-6(17-5)3-19-4-10(13,14)9(11)12/h9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyJKXGVZQSSSZJDI-UHFFFAOYSA-N
MW393.12 g/mol
LogP2.85
Rot. Bonds6

About 5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine

5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine (PubChem CID 103476257) has the molecular formula C10H12F4IN3O and a molecular weight of 393.12 g/mol. Its IUPAC name is 5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
PubChem CID103476257
Molecular FormulaC10H12F4IN3O
Molecular Weight393.12 g/mol
Exact Mass393.00
IUPAC Name5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
SMILESCNc1nc(COCC(F)(F)C(F)F)nc(C)c1I
InChIInChI=1S/C10H12F4IN3O/c1-5-7(15)8(16-2)18-6(17-5)3-19-4-10(13,14)9(11)12/h9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyJKXGVZQSSSZJDI-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.12
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine (CID 103476257) is 5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine is CNc1nc(COCC(F)(F)C(F)F)nc(C)c1I.
What is the InChIKey of 5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The InChIKey is JKXGVZQSSSZJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4IN3O/c1-5-7(15)8(16-2)18-6(17-5)3-19-4-10(13,14)9(11)12/h9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine has a molecular weight of 393.12 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103476257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).