5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine

C10H16BrN3O — CID 116729296

IUPAC5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine
SMILESCCOC(CC)c1nc(C)c(Br)c(N)n1
InChIInChI=1S/C10H16BrN3O/c1-4-7(15-5-2)10-13-6(3)8(11)9(12)14-10/h7H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyPLLFIFPEDWENTC-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.62
Rot. Bonds4

About 5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine

5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine (PubChem CID 116729296) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine
PubChem CID116729296
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine
SMILESCCOC(CC)c1nc(C)c(Br)c(N)n1
InChIInChI=1S/C10H16BrN3O/c1-4-7(15-5-2)10-13-6(3)8(11)9(12)14-10/h7H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyPLLFIFPEDWENTC-UHFFFAOYSA-N
XLogP2.62
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine
CID 116729378
2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine
CID 116729178
5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116729325
4-(1-ethoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 116734056
2-(1-ethoxypropyl)-7H-purin-6-amine
CID 174819126
5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729550
[2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 116730430
5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine
CID 116729384
2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66306102
2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 116729367
5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
CID 116633219
N-[2-[2-(1-ethoxypropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
CID 116731690

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine (CID 116729296) is 5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine is CCOC(CC)c1nc(C)c(Br)c(N)n1.
What is the InChIKey of 5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine?
The InChIKey is PLLFIFPEDWENTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-4-7(15-5-2)10-13-6(3)8(11)9(12)14-10/h7H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine?
5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine has a molecular weight of 274.16 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 116729296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).