5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C9H11F3IN3O — CID 66303438

IUPAC5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1nc(CC(F)(F)F)nc(COC)c1I
InChIInChI=1S/C9H11F3IN3O/c1-14-8-7(13)5(4-17-2)15-6(16-8)3-9(10,11)12/h3-4H2,1-2H3,(H,14,15,16)
InChIKeyURXVOJLQSMSWCA-UHFFFAOYSA-N
MW361.11 g/mol
LogP2.37
Rot. Bonds4

About 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66303438) has the molecular formula C9H11F3IN3O and a molecular weight of 361.11 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66303438
Molecular FormulaC9H11F3IN3O
Molecular Weight361.11 g/mol
Exact Mass360.99
IUPAC Name5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1nc(CC(F)(F)F)nc(COC)c1I
InChIInChI=1S/C9H11F3IN3O/c1-14-8-7(13)5(4-17-2)15-6(16-8)3-9(10,11)12/h3-4H2,1-2H3,(H,14,15,16)
InChIKeyURXVOJLQSMSWCA-UHFFFAOYSA-N
XLogP2.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.11
LogP ≤ 52.37
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 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66303438) is 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CNc1nc(CC(F)(F)F)nc(COC)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is URXVOJLQSMSWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3IN3O/c1-14-8-7(13)5(4-17-2)15-6(16-8)3-9(10,11)12/h3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 361.11 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66303438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).