4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide

C11H16BrN5O — CID 47252261

IUPAC4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C11H16BrN5O/c1-2-13-11(18)17-5-3-16(4-6-17)10-14-7-9(12)8-15-10/h7-8H,2-6H2,1H3,(H,13,18)
InChIKeyDSMXAQLODXZWNQ-UHFFFAOYSA-N
MW314.19 g/mol
LogP1.09
Rot. Bonds2

About 4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide

4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide (PubChem CID 47252261) has the molecular formula C11H16BrN5O and a molecular weight of 314.19 g/mol. Its IUPAC name is 4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide
PubChem CID47252261
Molecular FormulaC11H16BrN5O
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C11H16BrN5O/c1-2-13-11(18)17-5-3-16(4-6-17)10-14-7-9(12)8-15-10/h7-8H,2-6H2,1H3,(H,13,18)
InChIKeyDSMXAQLODXZWNQ-UHFFFAOYSA-N
XLogP1.09
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone
CID 64610567
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 86913488
1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]but-2-en-1-one
CID 78968098
4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103907498
1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 46454398
2-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 115586809
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 60947880
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63143756
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
CID 107355704
[4-(5-bromopyrimidin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499067
2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone
CID 79844040
4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide
CID 43384277

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide (CID 47252261) is 4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is DSMXAQLODXZWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5O/c1-2-13-11(18)17-5-3-16(4-6-17)10-14-7-9(12)8-15-10/h7-8H,2-6H2,1H3,(H,13,18).
What are the key properties of 4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide?
4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 314.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 47252261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).