N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine

C15H17FIN3O — CID 66297351

IUPACN,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(OC)c(F)c2)nc(CC)c1I
InChIInChI=1S/C15H17FIN3O/c1-4-11-13(17)15(18-5-2)20-14(19-11)9-6-7-12(21-3)10(16)8-9/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyRYARJKQZTLQLNT-UHFFFAOYSA-N
MW401.22 g/mol
LogP3.89
Rot. Bonds5

About N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine

N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine (PubChem CID 66297351) has the molecular formula C15H17FIN3O and a molecular weight of 401.22 g/mol. Its IUPAC name is N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
PubChem CID66297351
Molecular FormulaC15H17FIN3O
Molecular Weight401.22 g/mol
Exact Mass401.04
IUPAC NameN,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(OC)c(F)c2)nc(CC)c1I
InChIInChI=1S/C15H17FIN3O/c1-4-11-13(17)15(18-5-2)20-14(19-11)9-6-7-12(21-3)10(16)8-9/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyRYARJKQZTLQLNT-UHFFFAOYSA-N
XLogP3.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.22
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-3-fluorophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 81441077
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096408
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66296199
2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299098
2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299688
2-(3,4-dimethylphenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66296731
4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine
CID 66292796
N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 116977086
N,6-diethyl-2-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 66298313
5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
CID 62920233
2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66301892

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine (CID 66297351) is N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine is CCNc1nc(-c2ccc(OC)c(F)c2)nc(CC)c1I.
What is the InChIKey of N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine?
The InChIKey is RYARJKQZTLQLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FIN3O/c1-4-11-13(17)15(18-5-2)20-14(19-11)9-6-7-12(21-3)10(16)8-9/h6-8H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine?
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine has a molecular weight of 401.22 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66297351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).