[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone

C14H20BrN5O — CID 63143756

IUPAC[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)N2CCN(c3ncc(Br)cn3)CC2)CCNC1
InChIInChI=1S/C14H20BrN5O/c1-14(2-3-16-10-14)12(21)19-4-6-20(7-5-19)13-17-8-11(15)9-18-13/h8-9,16H,2-7,10H2,1H3
InChIKeyONUFGXJASVNSGS-UHFFFAOYSA-N
MW354.25 g/mol
LogP0.89
Rot. Bonds2

About [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 63143756) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
PubChem CID63143756
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)N2CCN(c3ncc(Br)cn3)CC2)CCNC1
InChIInChI=1S/C14H20BrN5O/c1-14(2-3-16-10-14)12(21)19-4-6-20(7-5-19)13-17-8-11(15)9-18-13/h8-9,16H,2-7,10H2,1H3
InChIKeyONUFGXJASVNSGS-UHFFFAOYSA-N
XLogP0.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 60947880
[4-(2-chlorophenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63138572
[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63141362
4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide
CID 47252261
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138776
1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]but-2-en-1-one
CID 78968098
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 60948000
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 103813525

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone (CID 63143756) is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone is CC1(C(=O)N2CCN(c3ncc(Br)cn3)CC2)CCNC1.
What is the InChIKey of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is ONUFGXJASVNSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-14(2-3-16-10-14)12(21)19-4-6-20(7-5-19)13-17-8-11(15)9-18-13/h8-9,16H,2-7,10H2,1H3.
What are the key properties of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone?
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 354.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63143756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).