2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine

C14H16IN3O2 — CID 66301892

IUPAC2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(OC)c(OC)c2)ncc1I
InChIInChI=1S/C14H16IN3O2/c1-4-16-14-10(15)8-17-13(18-14)9-5-6-11(19-2)12(7-9)20-3/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyXOAFXWHATRYARK-UHFFFAOYSA-N
MW385.21 g/mol
LogP3.20
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine

2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine (PubChem CID 66301892) has the molecular formula C14H16IN3O2 and a molecular weight of 385.21 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine
PubChem CID66301892
Molecular FormulaC14H16IN3O2
Molecular Weight385.21 g/mol
Exact Mass385.03
IUPAC Name2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(OC)c(OC)c2)ncc1I
InChIInChI=1S/C14H16IN3O2/c1-4-16-14-10(15)8-17-13(18-14)9-5-6-11(19-2)12(7-9)20-3/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyXOAFXWHATRYARK-UHFFFAOYSA-N
XLogP3.20
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66295319
N-ethyl-5-iodo-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 66302094
N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine
CID 66302305
2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66295896
5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine
CID 116977083
N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66295324
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297351
2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66304355
5-iodo-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66297619
2-(4-chlorophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66302314
2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66303127
5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66295682

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine (CID 66301892) is 2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine is CCNc1nc(-c2ccc(OC)c(OC)c2)ncc1I.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is XOAFXWHATRYARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O2/c1-4-16-14-10(15)8-17-13(18-14)9-5-6-11(19-2)12(7-9)20-3/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine?
2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 385.21 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66301892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).