5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine

C11H18BrN3O — CID 116729384

IUPAC5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(CC)OC)nc(N)c1Br
InChIInChI=1S/C11H18BrN3O/c1-4-6-7-9(12)10(13)15-11(14-7)8(5-2)16-3/h8H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeyUDPADOHQPTYZPI-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.87
Rot. Bonds5

About 5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine

5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine (PubChem CID 116729384) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine
PubChem CID116729384
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(CC)OC)nc(N)c1Br
InChIInChI=1S/C11H18BrN3O/c1-4-6-7-9(12)10(13)15-11(14-7)8(5-2)16-3/h8H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeyUDPADOHQPTYZPI-UHFFFAOYSA-N
XLogP2.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine (CID 116729384) is 5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine is CCCc1nc(C(CC)OC)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine?
The InChIKey is UDPADOHQPTYZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-4-6-7-9(12)10(13)15-11(14-7)8(5-2)16-3/h8H,4-6H2,1-3H3,(H2,13,14,15).
What are the key properties of 5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine?
5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine has a molecular weight of 288.19 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116729384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).