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

C12H20BrN3O — CID 116729394

IUPAC5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(CC)OC)nc(NC)c1Br
InChIInChI=1S/C12H20BrN3O/c1-5-7-8-10(13)12(14-3)16-11(15-8)9(6-2)17-4/h9H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyOZYJFOYSHGSETF-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.33
Rot. Bonds6

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

5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 116729394) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID116729394
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(CC)OC)nc(NC)c1Br
InChIInChI=1S/C12H20BrN3O/c1-5-7-8-10(13)12(14-3)16-11(15-8)9(6-2)17-4/h9H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyOZYJFOYSHGSETF-UHFFFAOYSA-N
XLogP3.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 53.33
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)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine (CID 116729394) is 5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(C(CC)OC)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is OZYJFOYSHGSETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-5-7-8-10(13)12(14-3)16-11(15-8)9(6-2)17-4/h9H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 302.22 g/mol, XLogP of 3.33, 6 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)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116729394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).