5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine

C12H20BrN3 — CID 66298060

IUPAC5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(CC)CC)nc(N)c1Br
InChIInChI=1S/C12H20BrN3/c1-4-7-9-10(13)11(14)16-12(15-9)8(5-2)6-3/h8H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyXCMDMAKMXIUTCW-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.68
Rot. Bonds5

About 5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine

5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine (PubChem CID 66298060) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine
PubChem CID66298060
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(CC)CC)nc(N)c1Br
InChIInChI=1S/C12H20BrN3/c1-4-7-9-10(13)11(14)16-12(15-9)8(5-2)6-3/h8H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyXCMDMAKMXIUTCW-UHFFFAOYSA-N
XLogP3.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine (CID 66298060) is 5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine is CCCc1nc(C(CC)CC)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine?
The InChIKey is XCMDMAKMXIUTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-4-7-9-10(13)11(14)16-12(15-9)8(5-2)6-3/h8H,4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine?
5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine has a molecular weight of 286.22 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66298060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).