4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine

C14H14BrN3 — CID 116898794

IUPAC4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
SMILESBrc1cccc(-c2ccnc(C3CCCN3)n2)c1
InChIInChI=1S/C14H14BrN3/c15-11-4-1-3-10(9-11)12-6-8-17-14(18-12)13-5-2-7-16-13/h1,3-4,6,8-9,13,16H,2,5,7H2
InChIKeyKUMHPPDHUXCPAT-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.33
Rot. Bonds2

About 4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine

4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine (PubChem CID 116898794) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
PubChem CID116898794
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
SMILESBrc1cccc(-c2ccnc(C3CCCN3)n2)c1
InChIInChI=1S/C14H14BrN3/c15-11-4-1-3-10(9-11)12-6-8-17-14(18-12)13-5-2-7-16-13/h1,3-4,6,8-9,13,16H,2,5,7H2
InChIKeyKUMHPPDHUXCPAT-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116898799
3-(3-bromophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82569086
4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine
CID 116898873
6-(3-bromophenyl)-3-[(2S)-pyrrolidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982175
3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine
CID 116901814
2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine
CID 155988895
(2S)-2-(2,4-dibromophenyl)pyrrolidine
CID 130706941
3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 63317724
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride
CID 171687576
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
2-fluoro-6-[(2R)-pyrrolidin-2-yl]pyridine
CID 131118553

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine?
The IUPAC name of 4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine (CID 116898794) is 4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine.
What is the SMILES notation for 4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine?
The canonical SMILES for 4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine is Brc1cccc(-c2ccnc(C3CCCN3)n2)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine?
The InChIKey is KUMHPPDHUXCPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c15-11-4-1-3-10(9-11)12-6-8-17-14(18-12)13-5-2-7-16-13/h1,3-4,6,8-9,13,16H,2,5,7H2.
What are the key properties of 4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine?
4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine has a molecular weight of 304.19 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine is sourced from PubChem (CID 116898794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).