6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

C16H14BrN5 — CID 4608356

IUPAC6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(NCc2ccncc2)cc(-c2cncc(Br)c2)n1
InChIInChI=1S/C16H14BrN5/c1-11-21-15(13-6-14(17)10-19-9-13)7-16(22-11)20-8-12-2-4-18-5-3-12/h2-7,9-10H,8H2,1H3,(H,20,21,22)
InChIKeyYHZRXROVWGFKDX-UHFFFAOYSA-N
MW356.23 g/mol
LogP3.62
Rot. Bonds4

About 6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 4608356) has the molecular formula C16H14BrN5 and a molecular weight of 356.23 g/mol. Its IUPAC name is 6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID4608356
Molecular FormulaC16H14BrN5
Molecular Weight356.23 g/mol
Exact Mass355.04
IUPAC Name6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(NCc2ccncc2)cc(-c2cncc(Br)c2)n1
InChIInChI=1S/C16H14BrN5/c1-11-21-15(13-6-14(17)10-19-9-13)7-16(22-11)20-8-12-2-4-18-5-3-12/h2-7,9-10H,8H2,1H3,(H,20,21,22)
InChIKeyYHZRXROVWGFKDX-UHFFFAOYSA-N
XLogP3.62
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (CID 4608356) is 6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is Cc1nc(NCc2ccncc2)cc(-c2cncc(Br)c2)n1.
What is the InChIKey of 6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is YHZRXROVWGFKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5/c1-11-21-15(13-6-14(17)10-19-9-13)7-16(22-11)20-8-12-2-4-18-5-3-12/h2-7,9-10H,8H2,1H3,(H,20,21,22).
What are the key properties of 6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 356.23 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-3-pyridinyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 4608356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).