N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine

C13H14IN3O — CID 80881024

IUPACN-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(Oc2ccc(I)cc2)n1
InChIInChI=1S/C13H14IN3O/c1-3-15-13-16-8-9(2)12(17-13)18-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyNZAJSTHDVDZWIF-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.61
Rot. Bonds4

About N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine

N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine (PubChem CID 80881024) has the molecular formula C13H14IN3O and a molecular weight of 355.18 g/mol. Its IUPAC name is N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
PubChem CID80881024
Molecular FormulaC13H14IN3O
Molecular Weight355.18 g/mol
Exact Mass355.02
IUPAC NameN-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(Oc2ccc(I)cc2)n1
InChIInChI=1S/C13H14IN3O/c1-3-15-13-16-8-9(2)12(17-13)18-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyNZAJSTHDVDZWIF-UHFFFAOYSA-N
XLogP3.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.61
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

4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864511
N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388463
4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80874250
4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881028
5-chloro-4-(4-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881106
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine
CID 80876421
N-ethyl-4-(4-iodophenoxy)quinazolin-2-amine
CID 80875106
N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 80881682
N-ethyl-4-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-2-amine
CID 80881136
4-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80864579
2-[2-(ethylamino)-5-methylpyrimidin-4-yl]oxyethanol
CID 80859751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine (CID 80881024) is N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine is CCNc1ncc(C)c(Oc2ccc(I)cc2)n1.
What is the InChIKey of N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine?
The InChIKey is NZAJSTHDVDZWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O/c1-3-15-13-16-8-9(2)12(17-13)18-11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine?
N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine has a molecular weight of 355.18 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80881024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).