2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine

C15H17FIN3 — CID 66305737

IUPAC2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(F)ccc2C)nc(C)c1I
InChIInChI=1S/C15H17FIN3/c1-4-7-18-15-13(17)10(3)19-14(20-15)12-8-11(16)6-5-9(12)2/h5-6,8H,4,7H2,1-3H3,(H,18,19,20)
InChIKeyOXKMQJOEVAEESF-UHFFFAOYSA-N
MW385.22 g/mol
LogP4.33
Rot. Bonds4

About 2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine

2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 66305737) has the molecular formula C15H17FIN3 and a molecular weight of 385.22 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
PubChem CID66305737
Molecular FormulaC15H17FIN3
Molecular Weight385.22 g/mol
Exact Mass385.05
IUPAC Name2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(F)ccc2C)nc(C)c1I
InChIInChI=1S/C15H17FIN3/c1-4-7-18-15-13(17)10(3)19-14(20-15)12-8-11(16)6-5-9(12)2/h5-6,8H,4,7H2,1-3H3,(H,18,19,20)
InChIKeyOXKMQJOEVAEESF-UHFFFAOYSA-N
XLogP4.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 54.33
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-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66297674
2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66307321
N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 66298313
2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107281453
5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 66304873
5-iodo-6-methyl-N-propyl-2-pyridin-4-ylpyrimidin-4-amine
CID 66307120
5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66306328
5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148158
2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305936
2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66295351
N-ethyl-2-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485255
2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66297059

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine (CID 66305737) is 2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cc(F)ccc2C)nc(C)c1I.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is OXKMQJOEVAEESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FIN3/c1-4-7-18-15-13(17)10(3)19-14(20-15)12-8-11(16)6-5-9(12)2/h5-6,8H,4,7H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 385.22 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66305737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).