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

C13H22BrN3 — CID 66296714

IUPAC5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(CC)CC)nc(NC)c1Br
InChIInChI=1S/C13H22BrN3/c1-5-8-10-11(14)13(15-4)17-12(16-10)9(6-2)7-3/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyPLBDLQQFFVZHTA-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.14
Rot. Bonds6

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

5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine (PubChem CID 66296714) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine
PubChem CID66296714
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(CC)CC)nc(NC)c1Br
InChIInChI=1S/C13H22BrN3/c1-5-8-10-11(14)13(15-4)17-12(16-10)9(6-2)7-3/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyPLBDLQQFFVZHTA-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine (CID 66296714) is 5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine is CCCc1nc(C(CC)CC)nc(NC)c1Br.
What is the InChIKey of 5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine?
The InChIKey is PLBDLQQFFVZHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-5-8-10-11(14)13(15-4)17-12(16-10)9(6-2)7-3/h9H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine?
5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine has a molecular weight of 300.24 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66296714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).