N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine

C15H17FIN3 — CID 66298313

IUPACN,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2cc(F)ccc2C)nc(CC)c1I
InChIInChI=1S/C15H17FIN3/c1-4-12-13(17)15(18-5-2)20-14(19-12)11-8-10(16)7-6-9(11)3/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyJOUWVSXIPBICLA-UHFFFAOYSA-N
MW385.22 g/mol
LogP4.19
Rot. Bonds4

About N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine

N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine (PubChem CID 66298313) has the molecular formula C15H17FIN3 and a molecular weight of 385.22 g/mol. Its IUPAC name is N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
PubChem CID66298313
Molecular FormulaC15H17FIN3
Molecular Weight385.22 g/mol
Exact Mass385.05
IUPAC NameN,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2cc(F)ccc2C)nc(CC)c1I
InChIInChI=1S/C15H17FIN3/c1-4-12-13(17)15(18-5-2)20-14(19-12)11-8-10(16)7-6-9(11)3/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyJOUWVSXIPBICLA-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
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-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66297158
2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305737
2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107281453
N-ethyl-2-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485255
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297351
2-[(2-chloro-4-fluorophenyl)methyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299683
2-(3,4-dimethylphenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66296731
N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
CID 81278021
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66296199
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 107924001

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine (CID 66298313) is N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine is CCNc1nc(-c2cc(F)ccc2C)nc(CC)c1I.
What is the InChIKey of N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine?
The InChIKey is JOUWVSXIPBICLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FIN3/c1-4-12-13(17)15(18-5-2)20-14(19-12)11-8-10(16)7-6-9(11)3/h6-8H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine?
N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine has a molecular weight of 385.22 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66298313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).