5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine

C16H15BrN4 — CID 66306932

IUPAC5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc3ccccc3n2)nc(N)c1Br
InChIInChI=1S/C16H15BrN4/c1-2-5-12-14(17)15(18)21-16(20-12)13-9-8-10-6-3-4-7-11(10)19-13/h3-4,6-9H,2,5H2,1H3,(H2,18,20,21)
InChIKeyNPZQSMGDKLLXED-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.99
Rot. Bonds3

About 5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine

5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine (PubChem CID 66306932) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine
PubChem CID66306932
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc3ccccc3n2)nc(N)c1Br
InChIInChI=1S/C16H15BrN4/c1-2-5-12-14(17)15(18)21-16(20-12)13-9-8-10-6-3-4-7-11(10)19-13/h3-4,6-9H,2,5H2,1H3,(H2,18,20,21)
InChIKeyNPZQSMGDKLLXED-UHFFFAOYSA-N
XLogP3.99
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine (CID 66306932) is 5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine is CCCc1nc(-c2ccc3ccccc3n2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine?
The InChIKey is NPZQSMGDKLLXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-2-5-12-14(17)15(18)21-16(20-12)13-9-8-10-6-3-4-7-11(10)19-13/h3-4,6-9H,2,5H2,1H3,(H2,18,20,21).
What are the key properties of 5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine?
5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine has a molecular weight of 343.23 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66306932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).