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

C14H14BrN3 — CID 116898799

IUPAC4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
SMILESBrc1ccccc1-c1ccnc(C2CCCN2)n1
InChIInChI=1S/C14H14BrN3/c15-11-5-2-1-4-10(11)12-7-9-17-14(18-12)13-6-3-8-16-13/h1-2,4-5,7,9,13,16H,3,6,8H2
InChIKeySBBTWWZBNJVROE-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.33
Rot. Bonds2

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

4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine (PubChem CID 116898799) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
PubChem CID116898799
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
SMILESBrc1ccccc1-c1ccnc(C2CCCN2)n1
InChIInChI=1S/C14H14BrN3/c15-11-5-2-1-4-10(11)12-7-9-17-14(18-12)13-6-3-8-16-13/h1-2,4-5,7,9,13,16H,3,6,8H2
InChIKeySBBTWWZBNJVROE-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-piperidin-2-ylpyrimidine
CID 116898873
4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116898794
4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898844
2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928821
5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 84715620
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116893348
2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine
CID 95846428
2-[2-[(2S)-pyrrolidin-2-yl]phenyl]pyridine;hydrochloride
CID 164551354
4-(2-bromophenyl)-N-methylpyrimidin-2-amine
CID 63548579
[4-(2-bromophenyl)pyrimidin-2-yl]methanamine
CID 84711190
4-pyrrolidin-2-ylpyrimidin-2-amine
CID 53408029

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine?
The IUPAC name of 4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine (CID 116898799) is 4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine.
What is the SMILES notation for 4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine?
The canonical SMILES for 4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine is Brc1ccccc1-c1ccnc(C2CCCN2)n1.
What is the InChIKey of 4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine?
The InChIKey is SBBTWWZBNJVROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c15-11-5-2-1-4-10(11)12-7-9-17-14(18-12)13-6-3-8-16-13/h1-2,4-5,7,9,13,16H,3,6,8H2.
What are the key properties of 4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine?
4-(2-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-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine is sourced from PubChem (CID 116898799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).