N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C16H20IN3O — CID 80989119

IUPACN-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(Oc2cccc(I)c2)c1C
InChIInChI=1S/C16H20IN3O/c1-5-18-15-11(4)16(20-14(19-15)10(2)3)21-13-8-6-7-12(17)9-13/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyCJSGDZJCNCZDMO-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.74
Rot. Bonds5

About N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine

N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80989119) has the molecular formula C16H20IN3O and a molecular weight of 397.26 g/mol. Its IUPAC name is N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80989119
Molecular FormulaC16H20IN3O
Molecular Weight397.26 g/mol
Exact Mass397.07
IUPAC NameN-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(Oc2cccc(I)c2)c1C
InChIInChI=1S/C16H20IN3O/c1-5-18-15-11(4)16(20-14(19-15)10(2)3)21-13-8-6-7-12(17)9-13/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyCJSGDZJCNCZDMO-UHFFFAOYSA-N
XLogP4.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.74
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

N-ethyl-6-methoxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989060
3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]oxybenzonitrile
CID 80988952
N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80881870
N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
CID 80988663
N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine
CID 80878598
4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80973136
4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80973916
[6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001190
3-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80972858
6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80870359
N-ethyl-5-(3-iodophenoxy)pyridin-3-amine
CID 104536529
N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine
CID 114471199

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80989119) is N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCNc1nc(C(C)C)nc(Oc2cccc(I)c2)c1C.
What is the InChIKey of N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is CJSGDZJCNCZDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3O/c1-5-18-15-11(4)16(20-14(19-15)10(2)3)21-13-8-6-7-12(17)9-13/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 397.26 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80989119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).