2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine

C15H26IN3O2 — CID 116729776

IUPAC2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(CCC)OCC)nc(COC)c1I
InChIInChI=1S/C15H26IN3O2/c1-5-8-12(21-7-3)14-18-11(10-20-4)13(16)15(19-14)17-9-6-2/h12H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyLIRMZKKCAGSVGH-UHFFFAOYSA-N
MW407.30 g/mol
LogP3.93
Rot. Bonds10

About 2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine

2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 116729776) has the molecular formula C15H26IN3O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID116729776
Molecular FormulaC15H26IN3O2
Molecular Weight407.30 g/mol
Exact Mass407.11
IUPAC Name2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(CCC)OCC)nc(COC)c1I
InChIInChI=1S/C15H26IN3O2/c1-5-8-12(21-7-3)14-18-11(10-20-4)13(16)15(19-14)17-9-6-2/h12H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyLIRMZKKCAGSVGH-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
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

N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729761
2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116729749
2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 116729367
2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 116729852
5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 66301614
2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 116729448
3-[5-iodo-4-(methoxymethyl)-6-(propylamino)pyrimidin-2-yl]phenol
CID 66297783
2-(4-bromothiophen-2-yl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 66301815
5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116503015
5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 66304470
2-(3-bromothiophen-2-yl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 115381221
5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116729325

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine (CID 116729776) is 2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(CCC)OCC)nc(COC)c1I.
What is the InChIKey of 2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is LIRMZKKCAGSVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26IN3O2/c1-5-8-12(21-7-3)14-18-11(10-20-4)13(16)15(19-14)17-9-6-2/h12H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 407.30 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116729776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).