2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine

C16H20IN3O — CID 66299098

IUPAC2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(OCC)c2)nc(CC)c1I
InChIInChI=1S/C16H20IN3O/c1-4-13-14(17)16(18-5-2)20-15(19-13)11-8-7-9-12(10-11)21-6-3/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyRGLJZVKBAWYZDV-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.14
Rot. Bonds6

About 2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine

2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine (PubChem CID 66299098) has the molecular formula C16H20IN3O and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
PubChem CID66299098
Molecular FormulaC16H20IN3O
Molecular Weight397.26 g/mol
Exact Mass397.07
IUPAC Name2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(OCC)c2)nc(CC)c1I
InChIInChI=1S/C16H20IN3O/c1-4-13-14(17)16(18-5-2)20-15(19-13)11-8-7-9-12(10-11)21-6-3/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyRGLJZVKBAWYZDV-UHFFFAOYSA-N
XLogP4.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.14
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,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301253
N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine
CID 66299682
5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 66299648
3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol
CID 66296345
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297351
N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66298381
4-chloro-2-(3-ethoxyphenyl)-6-ethyl-5-methylpyrimidine
CID 55247750
2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66296199
3,5-dichloro-6-(3-ethoxyphenyl)-N-ethylpyridin-2-amine
CID 102753675
5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66307154
N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 66304720

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine (CID 66299098) is 2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine is CCNc1nc(-c2cccc(OCC)c2)nc(CC)c1I.
What is the InChIKey of 2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine?
The InChIKey is RGLJZVKBAWYZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3O/c1-4-13-14(17)16(18-5-2)20-15(19-13)11-8-7-9-12(10-11)21-6-3/h7-10H,4-6H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine?
2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine has a molecular weight of 397.26 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66299098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).