2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine

C12H10F2IN3 — CID 66304716

IUPAC2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(F)c(F)c2)nc(C)c1I
InChIInChI=1S/C12H10F2IN3/c1-6-10(15)12(16-2)18-11(17-6)7-3-4-8(13)9(14)5-7/h3-5H,1-2H3,(H,16,17,18)
InChIKeySHXDJYYDEMJYMD-UHFFFAOYSA-N
MW361.13 g/mol
LogP3.38
Rot. Bonds2

About 2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine

2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine (PubChem CID 66304716) has the molecular formula C12H10F2IN3 and a molecular weight of 361.13 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
PubChem CID66304716
Molecular FormulaC12H10F2IN3
Molecular Weight361.13 g/mol
Exact Mass360.99
IUPAC Name2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(F)c(F)c2)nc(C)c1I
InChIInChI=1S/C12H10F2IN3/c1-6-10(15)12(16-2)18-11(17-6)7-3-4-8(13)9(14)5-7/h3-5H,1-2H3,(H,16,17,18)
InChIKeySHXDJYYDEMJYMD-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.13
LogP ≤ 53.38
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

5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine
CID 66304625
2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62745958
2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66295351
2-(3-fluoro-4-methylphenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66306892
5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine
CID 66304664
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-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66295542
5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62191599
2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305711
5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 105410427
5-bromo-6-tert-butyl-2-(4-chloro-3-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66297317

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine (CID 66304716) is 2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine is CNc1nc(-c2ccc(F)c(F)c2)nc(C)c1I.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The InChIKey is SHXDJYYDEMJYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2IN3/c1-6-10(15)12(16-2)18-11(17-6)7-3-4-8(13)9(14)5-7/h3-5H,1-2H3,(H,16,17,18).
What are the key properties of 2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine has a molecular weight of 361.13 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66304716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).