2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine

C12H20IN3O — CID 116729852

IUPAC2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCCC(OCC)c1ncc(I)c(NCC)n1
InChIInChI=1S/C12H20IN3O/c1-4-7-10(17-6-3)12-15-8-9(13)11(16-12)14-5-2/h8,10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyUMXPNPOKXBHWMY-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.39
Rot. Bonds7

About 2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine

2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine (PubChem CID 116729852) has the molecular formula C12H20IN3O and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine
PubChem CID116729852
Molecular FormulaC12H20IN3O
Molecular Weight349.22 g/mol
Exact Mass349.07
IUPAC Name2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCCC(OCC)c1ncc(I)c(NCC)n1
InChIInChI=1S/C12H20IN3O/c1-4-7-10(17-6-3)12-15-8-9(13)11(16-12)14-5-2/h8,10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyUMXPNPOKXBHWMY-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.39
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

3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine
CID 116730902
1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116731317
2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 116729776
2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66303735
1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]ethanone
CID 116731021
2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 116729448
4,6-dibromo-2-(1-ethoxybutyl)pyrimidine
CID 116706762
N-ethyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine
CID 116777127
N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729761
N-ethyl-5-iodo-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 66302094
N-ethyl-5-iodo-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 66302915
2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728320

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine (CID 116729852) is 2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine is CCCC(OCC)c1ncc(I)c(NCC)n1.
What is the InChIKey of 2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is UMXPNPOKXBHWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3O/c1-4-7-10(17-6-3)12-15-8-9(13)11(16-12)14-5-2/h8,10H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine?
2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 349.22 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 116729852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).