5-bromo-2-pyridin-3-ylpyrimidin-4-amine

C9H7BrN4 — CID 66302850

IUPAC5-bromo-2-pyridin-3-ylpyrimidin-4-amine
SMILESNc1nc(-c2cccnc2)ncc1Br
InChIInChI=1S/C9H7BrN4/c10-7-5-13-9(14-8(7)11)6-2-1-3-12-4-6/h1-5H,(H2,11,13,14)
InChIKeyYUKDYGVXCBBBLV-UHFFFAOYSA-N
MW251.09 g/mol
LogP1.88
Rot. Bonds1

About 5-bromo-2-pyridin-3-ylpyrimidin-4-amine

5-bromo-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 66302850) has the molecular formula C9H7BrN4 and a molecular weight of 251.09 g/mol. Its IUPAC name is 5-bromo-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID66302850
Molecular FormulaC9H7BrN4
Molecular Weight251.09 g/mol
Exact Mass249.99
IUPAC Name5-bromo-2-pyridin-3-ylpyrimidin-4-amine
SMILESNc1nc(-c2cccnc2)ncc1Br
InChIInChI=1S/C9H7BrN4/c10-7-5-13-9(14-8(7)11)6-2-1-3-12-4-6/h1-5H,(H2,11,13,14)
InChIKeyYUKDYGVXCBBBLV-UHFFFAOYSA-N
XLogP1.88
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66296825
3-bromo-5-pyridin-3-ylpyrazin-2-amine
CID 139409463
5-bromo-2-(3-bromo-4-chlorophenyl)pyrimidin-4-amine
CID 115568327
4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567475
5-bromo-3-pyridin-3-ylpyridin-2-amine
CID 119084821
6-ethyl-5-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 63560551
5-pyridin-3-ylpyrimidine-2,4-diamine
CID 118493821
5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 66296050
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrazin-2-amine
CID 63260210
3-(2,6-dibromophenyl)pyridine
CID 76539776
4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567464
2-pyridin-3-yl-8,9-dihydro-7H-purine
CID 67148463

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-pyridin-3-ylpyrimidin-4-amine (CID 66302850) is 5-bromo-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-pyridin-3-ylpyrimidin-4-amine is Nc1nc(-c2cccnc2)ncc1Br.
What is the InChIKey of 5-bromo-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is YUKDYGVXCBBBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4/c10-7-5-13-9(14-8(7)11)6-2-1-3-12-4-6/h1-5H,(H2,11,13,14).
What are the key properties of 5-bromo-2-pyridin-3-ylpyrimidin-4-amine?
5-bromo-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 251.09 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 66302850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).