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

C14H14BrN3 — CID 116898844

IUPAC4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine
SMILESBrc1ccccc1-c1ccnc(C2CCNC2)n1
InChIInChI=1S/C14H14BrN3/c15-12-4-2-1-3-11(12)13-6-8-17-14(18-13)10-5-7-16-9-10/h1-4,6,8,10,16H,5,7,9H2
InChIKeyPELIQELNTXBIEJ-UHFFFAOYSA-N
MW304.19 g/mol
LogP2.98
Rot. Bonds2

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

4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine (PubChem CID 116898844) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine
PubChem CID116898844
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine
SMILESBrc1ccccc1-c1ccnc(C2CCNC2)n1
InChIInChI=1S/C14H14BrN3/c15-12-4-2-1-3-11(12)13-6-8-17-14(18-13)10-5-7-16-9-10/h1-4,6,8,10,16H,5,7,9H2
InChIKeyPELIQELNTXBIEJ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116898799
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898808
4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine
CID 116898873
2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898827
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid
CID 83818283
[4-(2-bromophenyl)pyrimidin-2-yl]methanamine
CID 84711190
3-bromo-2-pyrrolidin-3-ylaniline
CID 117103675
2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole
CID 116888718
6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole
CID 116898831
5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727845
5-pyridin-2-yl-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 86820421

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine?
The IUPAC name of 4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine (CID 116898844) is 4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine.
What is the SMILES notation for 4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine?
The canonical SMILES for 4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine is Brc1ccccc1-c1ccnc(C2CCNC2)n1.
What is the InChIKey of 4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine?
The InChIKey is PELIQELNTXBIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c15-12-4-2-1-3-11(12)13-6-8-17-14(18-13)10-5-7-16-9-10/h1-4,6,8,10,16H,5,7,9H2.
What are the key properties of 4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine?
4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine has a molecular weight of 304.19 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine is sourced from PubChem (CID 116898844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).