N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine

C11H18IN3O — CID 66298694

IUPACN,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine
SMILESCCNc1nc(CCOC)nc(CC)c1I
InChIInChI=1S/C11H18IN3O/c1-4-8-10(12)11(13-5-2)15-9(14-8)6-7-16-3/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyQAJJEAQAVSLQEV-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.26
Rot. Bonds6

About N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine

N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 66298694) has the molecular formula C11H18IN3O and a molecular weight of 335.19 g/mol. Its IUPAC name is N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID66298694
Molecular FormulaC11H18IN3O
Molecular Weight335.19 g/mol
Exact Mass335.05
IUPAC NameN,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine
SMILESCCNc1nc(CCOC)nc(CC)c1I
InChIInChI=1S/C11H18IN3O/c1-4-8-10(12)11(13-5-2)15-9(14-8)6-7-16-3/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyQAJJEAQAVSLQEV-UHFFFAOYSA-N
XLogP2.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.26
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

6-ethyl-5-iodo-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66300059
2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 103150418
N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine
CID 102928949
2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299095
4-chloro-6-ethyl-5-iodo-2-(2-methoxyethyl)pyrimidine
CID 66292183
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-(diethylamino)ethyl]-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302832
N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
CID 66307186
5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66306381
5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306125
[6-ethyl-2-(2-methoxyethyl)-5-methylpyrimidin-4-yl]hydrazine
CID 63560256

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine (CID 66298694) is N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine is CCNc1nc(CCOC)nc(CC)c1I.
What is the InChIKey of N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is QAJJEAQAVSLQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O/c1-4-8-10(12)11(13-5-2)15-9(14-8)6-7-16-3/h4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine?
N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 335.19 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 66298694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).