6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine

C14H16IN3O — CID 66301253

IUPAC6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cccc(OC)c2)nc(NC)c1I
InChIInChI=1S/C14H16IN3O/c1-4-11-12(15)14(16-2)18-13(17-11)9-6-5-7-10(8-9)19-3/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyNTVZEZRGSUIKJC-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.36
Rot. Bonds4

About 6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine

6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine (PubChem CID 66301253) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
PubChem CID66301253
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC Name6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cccc(OC)c2)nc(NC)c1I
InChIInChI=1S/C14H16IN3O/c1-4-11-12(15)14(16-2)18-13(17-11)9-6-5-7-10(8-9)19-3/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyNTVZEZRGSUIKJC-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.36
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-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299098
5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 66299648
2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine
CID 79219772
6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
CID 114938393
N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66298381
5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66307154
6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 66298495
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742485
5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301926
6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine
CID 66295420
6-ethyl-2-(2-ethylphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66297157

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine (CID 66301253) is 6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine is CCc1nc(-c2cccc(OC)c2)nc(NC)c1I.
What is the InChIKey of 6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is NTVZEZRGSUIKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c1-4-11-12(15)14(16-2)18-13(17-11)9-6-5-7-10(8-9)19-3/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 369.21 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66301253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).