4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine

C9H15IN4 — CID 66305717

IUPAC4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)C)nc(C)c1I
InChIInChI=1S/C9H15IN4/c1-5-11-8-7(10)6(2)12-9(13-8)14(3)4/h5H2,1-4H3,(H,11,12,13)
InChIKeyOTKQYYMQJGWFFQ-UHFFFAOYSA-N
MW306.15 g/mol
LogP1.89
Rot. Bonds3

About 4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine

4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine (PubChem CID 66305717) has the molecular formula C9H15IN4 and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine
PubChem CID66305717
Molecular FormulaC9H15IN4
Molecular Weight306.15 g/mol
Exact Mass306.03
IUPAC Name4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)C)nc(C)c1I
InChIInChI=1S/C9H15IN4/c1-5-11-8-7(10)6(2)12-9(13-8)14(3)4/h5H2,1-4H3,(H,11,12,13)
InChIKeyOTKQYYMQJGWFFQ-UHFFFAOYSA-N
XLogP1.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 51.89
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

5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 66307413
2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299095
N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 66307314
N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66305718
2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 83085350
N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 66304720
2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305726
5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine
CID 28814656
6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine
CID 66299608
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 102843946
N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine
CID 66299485
N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 66305719

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine (CID 66305717) is 4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine is CCNc1nc(N(C)C)nc(C)c1I.
What is the InChIKey of 4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine?
The InChIKey is OTKQYYMQJGWFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IN4/c1-5-11-8-7(10)6(2)12-9(13-8)14(3)4/h5H2,1-4H3,(H,11,12,13).
What are the key properties of 4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine?
4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine has a molecular weight of 306.15 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 66305717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).