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

C10H13F3IN3 — CID 66307030

IUPAC6-tert-butyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(CC(F)(F)F)nc(N)c1I
InChIInChI=1S/C10H13F3IN3/c1-9(2,3)7-6(14)8(15)17-5(16-7)4-10(11,12)13/h4H2,1-3H3,(H2,15,16,17)
InChIKeyLNYIKMGRDSSWIA-UHFFFAOYSA-N
MW359.13 g/mol
LogP3.07
Rot. Bonds1

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

6-tert-butyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66307030) has the molecular formula C10H13F3IN3 and a molecular weight of 359.13 g/mol. Its IUPAC name is 6-tert-butyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66307030
Molecular FormulaC10H13F3IN3
Molecular Weight359.13 g/mol
Exact Mass359.01
IUPAC Name6-tert-butyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(CC(F)(F)F)nc(N)c1I
InChIInChI=1S/C10H13F3IN3/c1-9(2,3)7-6(14)8(15)17-5(16-7)4-10(11,12)13/h4H2,1-3H3,(H2,15,16,17)
InChIKeyLNYIKMGRDSSWIA-UHFFFAOYSA-N
XLogP3.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.13
LogP ≤ 53.07
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-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine
CID 691237
6-Methyl-5-propylpyrimidine-2,4-diamine
CID 44356854
4-Amino-2-methyl-6-pentafluoroethyl-5-trifluoromethylpyrimidine
CID 2246209
4-Fluoro-2-methyl-6-pentafluoroethyl-5-trifluoromethylpyrimidine
CID 11130278
2,6-Diethyl-5-methylpyrimidin-4-amine
CID 248110
2,6-Di-tert-butylpyrimidin-4-amine
CID 12464372
4-Tert-butyl-2,6-bis(trifluoromethyl)pyrimidine
CID 13166297
4,5,6-Tritert-butyl-2-(trifluoromethyl)pyrimidine
CID 14691551
6-Ethyl-5-iodopyrimidine-2,4-diamine
CID 11254067
4-Pyrimidinamine, 5-ethyl-2,6-dipropyl-
CID 12285747
4-Tert-butyl-2-methyl-6-(trifluoromethyl)pyrimidine
CID 15260854
4-Tert-butyl-6-methyl-2-(trifluoromethyl)pyrimidine
CID 22950961

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66307030) is 6-tert-butyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CC(C)(C)c1nc(CC(F)(F)F)nc(N)c1I.
What is the InChIKey of 6-tert-butyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is LNYIKMGRDSSWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3IN3/c1-9(2,3)7-6(14)8(15)17-5(16-7)4-10(11,12)13/h4H2,1-3H3,(H2,15,16,17).
What are the key properties of 6-tert-butyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-tert-butyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 359.13 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-iodo-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66307030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).