4-bromo-6-pyrrol-1-ylpyrimidine

C8H6BrN3 — CID 66520326

IUPAC4-bromo-6-pyrrol-1-ylpyrimidine
SMILESBrc1cc(-n2cccc2)ncn1
InChIInChI=1S/C8H6BrN3/c9-7-5-8(11-6-10-7)12-3-1-2-4-12/h1-6H
InChIKeyPRQFJEBALCYJRR-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.03
Rot. Bonds1

About 4-bromo-6-pyrrol-1-ylpyrimidine

4-bromo-6-pyrrol-1-ylpyrimidine (PubChem CID 66520326) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 4-bromo-6-pyrrol-1-ylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-pyrrol-1-ylpyrimidine
PubChem CID66520326
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name4-bromo-6-pyrrol-1-ylpyrimidine
SMILESBrc1cc(-n2cccc2)ncn1
InChIInChI=1S/C8H6BrN3/c9-7-5-8(11-6-10-7)12-3-1-2-4-12/h1-6H
InChIKeyPRQFJEBALCYJRR-UHFFFAOYSA-N
XLogP2.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342182
4-bromo-6-(3-ethyl-3-methylazetidin-1-yl)pyrimidine
CID 130847058
2-bromo-4-pyrrol-1-ylpyrimidine
CID 66520361
cyclopropyl-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 71800031
4-bromo-6-(4-cyclopropylpyrazol-1-yl)pyrimidine
CID 164644169
2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 46177247
25,27-dibromo-2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 46177245
4-bromo-6-(2-phenylethyl)pyrimidine
CID 121205692
1-(4-fluorophenyl)-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 122308318
1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698237
5-chloro-2-methyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122308308
4-nitro-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122308396

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-pyrrol-1-ylpyrimidine?
The IUPAC name of 4-bromo-6-pyrrol-1-ylpyrimidine (CID 66520326) is 4-bromo-6-pyrrol-1-ylpyrimidine.
What is the SMILES notation for 4-bromo-6-pyrrol-1-ylpyrimidine?
The canonical SMILES for 4-bromo-6-pyrrol-1-ylpyrimidine is Brc1cc(-n2cccc2)ncn1.
What is the InChIKey of 4-bromo-6-pyrrol-1-ylpyrimidine?
The InChIKey is PRQFJEBALCYJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-7-5-8(11-6-10-7)12-3-1-2-4-12/h1-6H.
What are the key properties of 4-bromo-6-pyrrol-1-ylpyrimidine?
4-bromo-6-pyrrol-1-ylpyrimidine has a molecular weight of 224.06 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-pyrrol-1-ylpyrimidine is sourced from PubChem (CID 66520326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).