5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C11H10BrClN4 — CID 79076488

IUPAC5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCN(Cc1cccnc1)c1nc(Cl)ncc1Br
InChIInChI=1S/C11H10BrClN4/c1-17(7-8-3-2-4-14-5-8)10-9(12)6-15-11(13)16-10/h2-6H,7H2,1H3
InChIKeyFFXKQVIYPAGUKS-UHFFFAOYSA-N
MW313.59 g/mol
LogP2.92
Rot. Bonds3

About 5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 79076488) has the molecular formula C11H10BrClN4 and a molecular weight of 313.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID79076488
Molecular FormulaC11H10BrClN4
Molecular Weight313.59 g/mol
Exact Mass311.98
IUPAC Name5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCN(Cc1cccnc1)c1nc(Cl)ncc1Br
InChIInChI=1S/C11H10BrClN4/c1-17(7-8-3-2-4-14-5-8)10-9(12)6-15-11(13)16-10/h2-6H,7H2,1H3
InChIKeyFFXKQVIYPAGUKS-UHFFFAOYSA-N
XLogP2.92
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.59
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 79076488) is 5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is CN(Cc1cccnc1)c1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is FFXKQVIYPAGUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4/c1-17(7-8-3-2-4-14-5-8)10-9(12)6-15-11(13)16-10/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 313.59 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 79076488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).