N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine

C15H26IN3O2 — CID 102928949

IUPACN-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(CCOCCOC)nc(CC(C)C)c1I
InChIInChI=1S/C15H26IN3O2/c1-5-17-15-14(16)12(10-11(2)3)18-13(19-15)6-7-21-9-8-20-4/h11H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyWUVKYQBNASKJFI-UHFFFAOYSA-N
MW407.30 g/mol
LogP2.92
Rot. Bonds10

About N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine

N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 102928949) has the molecular formula C15H26IN3O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID102928949
Molecular FormulaC15H26IN3O2
Molecular Weight407.30 g/mol
Exact Mass407.11
IUPAC NameN-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(CCOCCOC)nc(CC(C)C)c1I
InChIInChI=1S/C15H26IN3O2/c1-5-17-15-14(16)12(10-11(2)3)18-13(19-15)6-7-21-9-8-20-4/h11H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyWUVKYQBNASKJFI-UHFFFAOYSA-N
XLogP2.92
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine
CID 66298694
N-ethyl-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150444
N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine
CID 66299485
2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 103150418
N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 102928811
N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
CID 66307186
6-ethyl-5-iodo-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66300059
6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine
CID 102928875
2-[2-(diethylamino)ethyl]-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302832
2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66305995
[6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-5-methylpyrimidin-4-yl]hydrazine
CID 102928978
5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66306381

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine (CID 102928949) is N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine is CCNc1nc(CCOCCOC)nc(CC(C)C)c1I.
What is the InChIKey of N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is WUVKYQBNASKJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26IN3O2/c1-5-17-15-14(16)12(10-11(2)3)18-13(19-15)6-7-21-9-8-20-4/h11H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine?
N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 407.30 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 102928949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).