2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine

C11H18IN3 — CID 66303735

IUPAC2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(CC(C)(C)C)ncc1I
InChIInChI=1S/C11H18IN3/c1-5-13-10-8(12)7-14-9(15-10)6-11(2,3)4/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyQNWPVPSASQGKMG-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.10
Rot. Bonds3

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

2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine (PubChem CID 66303735) has the molecular formula C11H18IN3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
PubChem CID66303735
Molecular FormulaC11H18IN3
Molecular Weight319.19 g/mol
Exact Mass319.05
IUPAC Name2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(CC(C)(C)C)ncc1I
InChIInChI=1S/C11H18IN3/c1-5-13-10-8(12)7-14-9(15-10)6-11(2,3)4/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyQNWPVPSASQGKMG-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.10
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

2-[2-(diethylamino)ethyl]-N-ethyl-5-iodopyrimidin-4-amine
CID 66301479
N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
CID 66304134
N-ethyl-5-iodo-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 66302915
2-(cyclopentylsulfanylmethyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66304146
2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299095
6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66298625
2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66295896
N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine
CID 66302302
N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine
CID 116777127
5-bromo-2-(2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 66301652
2-[(3-bromophenyl)sulfanylmethyl]-N-ethyl-5-iodopyrimidin-4-amine
CID 66304350
N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine
CID 66302305

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine (CID 66303735) is 2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine is CCNc1nc(CC(C)(C)C)ncc1I.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is QNWPVPSASQGKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3/c1-5-13-10-8(12)7-14-9(15-10)6-11(2,3)4/h7H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine?
2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 319.19 g/mol, XLogP of 3.10, 3 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-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66303735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).