2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C12H20IN3O2 — CID 116729749

IUPAC2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCCOC(CC)c1nc(COC)c(I)c(NC)n1
InChIInChI=1S/C12H20IN3O2/c1-5-9(18-6-2)11-15-8(7-17-4)10(13)12(14-3)16-11/h9H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyCVYYYCOAWPEOHH-UHFFFAOYSA-N
MW365.22 g/mol
LogP2.76
Rot. Bonds7

About 2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 116729749) has the molecular formula C12H20IN3O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID116729749
Molecular FormulaC12H20IN3O2
Molecular Weight365.22 g/mol
Exact Mass365.06
IUPAC Name2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCCOC(CC)c1nc(COC)c(I)c(NC)n1
InChIInChI=1S/C12H20IN3O2/c1-5-9(18-6-2)11-15-8(7-17-4)10(13)12(14-3)16-11/h9H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyCVYYYCOAWPEOHH-UHFFFAOYSA-N
XLogP2.76
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 116729776
5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729550
2-(1-ethoxypropyl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
CID 116729288
N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729761
2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66301388
[2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 116730430
5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 66301389
2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 116729367
5-iodo-6-(methoxymethyl)-N-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66301999
2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine
CID 116731898
5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116729394
5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
CID 116729716

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 116729749) is 2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CCOC(CC)c1nc(COC)c(I)c(NC)n1.
What is the InChIKey of 2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is CVYYYCOAWPEOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3O2/c1-5-9(18-6-2)11-15-8(7-17-4)10(13)12(14-3)16-11/h9H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 365.22 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116729749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).