6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine

C11H12BrN5 — CID 116797046

IUPAC6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)cc(Br)n2)c(C)n1
InChIInChI=1S/C11H12BrN5/c1-6-3-4-8(7(2)14-6)15-11-16-9(12)5-10(13)17-11/h3-5H,1-2H3,(H3,13,15,16,17)
InChIKeyDQTAZPZQJLOZNF-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.58
Rot. Bonds2

About 6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine

6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine (PubChem CID 116797046) has the molecular formula C11H12BrN5 and a molecular weight of 294.16 g/mol. Its IUPAC name is 6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine
PubChem CID116797046
Molecular FormulaC11H12BrN5
Molecular Weight294.16 g/mol
Exact Mass293.03
IUPAC Name6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)cc(Br)n2)c(C)n1
InChIInChI=1S/C11H12BrN5/c1-6-3-4-8(7(2)14-6)15-11-16-9(12)5-10(13)17-11/h3-5H,1-2H3,(H3,13,15,16,17)
InChIKeyDQTAZPZQJLOZNF-UHFFFAOYSA-N
XLogP2.58
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine (CID 116797046) is 6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nc(N)cc(Br)n2)c(C)n1.
What is the InChIKey of 6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine?
The InChIKey is DQTAZPZQJLOZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5/c1-6-3-4-8(7(2)14-6)15-11-16-9(12)5-10(13)17-11/h3-5H,1-2H3,(H3,13,15,16,17).
What are the key properties of 6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine has a molecular weight of 294.16 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116797046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).