2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

C15H16ClFIN3 — CID 66299688

IUPAC2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(F)c(Cl)c2)nc(CC)c1I
InChIInChI=1S/C15H16ClFIN3/c1-3-7-19-15-13(18)12(4-2)20-14(21-15)9-5-6-11(17)10(16)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,19,20,21)
InChIKeyBSUAHTPVIRJPJJ-UHFFFAOYSA-N
MW419.67 g/mol
LogP4.93
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 66299688) has the molecular formula C15H16ClFIN3 and a molecular weight of 419.67 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
PubChem CID66299688
Molecular FormulaC15H16ClFIN3
Molecular Weight419.67 g/mol
Exact Mass419.01
IUPAC Name2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(F)c(Cl)c2)nc(CC)c1I
InChIInChI=1S/C15H16ClFIN3/c1-3-7-19-15-13(18)12(4-2)20-14(21-15)9-5-6-11(17)10(16)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,19,20,21)
InChIKeyBSUAHTPVIRJPJJ-UHFFFAOYSA-N
XLogP4.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.67
LogP ≤ 54.93
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-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 105410452
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 66296374
2-[2-(3-chloro-4-fluorophenyl)-4,6-diethylpyrimidin-5-yl]ethanamine
CID 79220557
2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine
CID 66306993
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297351
2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107281453
6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine
CID 115504536
3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268814
4-(3-chloro-4-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 115504576
5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine
CID 66300010
2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486675

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (CID 66299688) is 2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(F)c(Cl)c2)nc(CC)c1I.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is BSUAHTPVIRJPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFIN3/c1-3-7-19-15-13(18)12(4-2)20-14(21-15)9-5-6-11(17)10(16)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 419.67 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66299688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).