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

C7H7F3IN3 — CID 66307691

IUPAC5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1nc(CC(F)(F)F)nc(N)c1I
InChIInChI=1S/C7H7F3IN3/c1-3-5(11)6(12)14-4(13-3)2-7(8,9)10/h2H2,1H3,(H2,12,13,14)
InChIKeyKKAZDCNNERGHBM-UHFFFAOYSA-N
MW317.05 g/mol
LogP2.08
Rot. Bonds1

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

5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66307691) has the molecular formula C7H7F3IN3 and a molecular weight of 317.05 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66307691
Molecular FormulaC7H7F3IN3
Molecular Weight317.05 g/mol
Exact Mass316.96
IUPAC Name5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1nc(CC(F)(F)F)nc(N)c1I
InChIInChI=1S/C7H7F3IN3/c1-3-5(11)6(12)14-4(13-3)2-7(8,9)10/h2H2,1H3,(H2,12,13,14)
InChIKeyKKAZDCNNERGHBM-UHFFFAOYSA-N
XLogP2.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.05
LogP ≤ 52.08
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

4-amino-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carbonitrile
CID 116646992
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanamine
CID 62745948
5-iodo-6-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 66306098
4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine
CID 84663024
[5,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]hydrazine
CID 62252952
5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66307490
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-methylpyrimidin-4-amine
CID 66305099
N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 62192540
5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79965193
5-iodo-6-methyl-2-(trichloromethyl)pyrimidin-4-amine
CID 165466617
2-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
CID 174763110
2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine
CID 66307695

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66307691) is 5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is Cc1nc(CC(F)(F)F)nc(N)c1I.
What is the InChIKey of 5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is KKAZDCNNERGHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3IN3/c1-3-5(11)6(12)14-4(13-3)2-7(8,9)10/h2H2,1H3,(H2,12,13,14).
What are the key properties of 5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 317.05 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66307691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).