5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C13H11F3IN3 — CID 66295542

IUPAC5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCNc1nc(-c2ccccc2C(F)(F)F)nc(C)c1I
InChIInChI=1S/C13H11F3IN3/c1-7-10(17)12(18-2)20-11(19-7)8-5-3-4-6-9(8)13(14,15)16/h3-6H,1-2H3,(H,18,19,20)
InChIKeyXCNVTQPKYONRNP-UHFFFAOYSA-N
MW393.15 g/mol
LogP4.12
Rot. Bonds2

About 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 66295542) has the molecular formula C13H11F3IN3 and a molecular weight of 393.15 g/mol. Its IUPAC name is 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID66295542
Molecular FormulaC13H11F3IN3
Molecular Weight393.15 g/mol
Exact Mass392.99
IUPAC Name5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCNc1nc(-c2ccccc2C(F)(F)F)nc(C)c1I
InChIInChI=1S/C13H11F3IN3/c1-7-10(17)12(18-2)20-11(19-7)8-5-3-4-6-9(8)13(14,15)16/h3-6H,1-2H3,(H,18,19,20)
InChIKeyXCNVTQPKYONRNP-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.15
LogP ≤ 54.12
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

2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305711
5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62202485
5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
CID 66297086
2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66295351
4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid
CID 115069883
2-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305905
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66296123
5,6-dimethyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;iodomethane
CID 159993039
4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 15983474
[6-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine
CID 63559694
2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66304716
N-[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-7-fluoro-1H-indazol-3-amine
CID 10201031

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 66295542) is 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is CNc1nc(-c2ccccc2C(F)(F)F)nc(C)c1I.
What is the InChIKey of 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is XCNVTQPKYONRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3IN3/c1-7-10(17)12(18-2)20-11(19-7)8-5-3-4-6-9(8)13(14,15)16/h3-6H,1-2H3,(H,18,19,20).
What are the key properties of 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 393.15 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 66295542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).