2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine

C13H22IN3O — CID 116729367

IUPAC2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(CC)OCC)nc(C)c1I
InChIInChI=1S/C13H22IN3O/c1-5-8-15-13-11(14)9(4)16-12(17-13)10(6-2)18-7-3/h10H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyKIQQREPACDQSEL-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.70
Rot. Bonds7

About 2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine

2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 116729367) has the molecular formula C13H22IN3O and a molecular weight of 363.24 g/mol. Its IUPAC name is 2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
PubChem CID116729367
Molecular FormulaC13H22IN3O
Molecular Weight363.24 g/mol
Exact Mass363.08
IUPAC Name2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(CC)OCC)nc(C)c1I
InChIInChI=1S/C13H22IN3O/c1-5-8-15-13-11(14)9(4)16-12(17-13)10(6-2)18-7-3/h10H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyKIQQREPACDQSEL-UHFFFAOYSA-N
XLogP3.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.70
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

5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116729325
5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 66305735
5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116503015
2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 116729776
2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116729248
2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116729749
5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306125
5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
CID 66307320
5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
CID 66299368
5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine
CID 116729296
2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62315264
[2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 116730430

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine (CID 116729367) is 2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C(CC)OCC)nc(C)c1I.
What is the InChIKey of 2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is KIQQREPACDQSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22IN3O/c1-5-8-15-13-11(14)9(4)16-12(17-13)10(6-2)18-7-3/h10H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine?
2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 363.24 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116729367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).