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

C13H22IN3 — CID 66299095

IUPAC2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(CC(C)(C)C)nc(CC)c1I
InChIInChI=1S/C13H22IN3/c1-6-9-11(14)12(15-7-2)17-10(16-9)8-13(3,4)5/h6-8H2,1-5H3,(H,15,16,17)
InChIKeyZQSSRZWGNUKNDP-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.66
Rot. Bonds4

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

2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine (PubChem CID 66299095) has the molecular formula C13H22IN3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine
PubChem CID66299095
Molecular FormulaC13H22IN3
Molecular Weight347.24 g/mol
Exact Mass347.09
IUPAC Name2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(CC(C)(C)C)nc(CC)c1I
InChIInChI=1S/C13H22IN3/c1-6-9-11(14)12(15-7-2)17-10(16-9)8-13(3,4)5/h6-8H2,1-5H3,(H,15,16,17)
InChIKeyZQSSRZWGNUKNDP-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66298625
N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine
CID 66299485
N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine
CID 66298694
N,6-diethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66298311
N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 66299480
2-[(4-chlorophenyl)methyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66300863
2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 103150418
2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66303735
N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66301056
5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305753
2-[(2-chloro-4-fluorophenyl)methyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299683
N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
CID 66307186

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine (CID 66299095) is 2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine is CCNc1nc(CC(C)(C)C)nc(CC)c1I.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine?
The InChIKey is ZQSSRZWGNUKNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22IN3/c1-6-9-11(14)12(15-7-2)17-10(16-9)8-13(3,4)5/h6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine?
2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine has a molecular weight of 347.24 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66299095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).