[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C17H21N7O — CID 109273565

IUPAC[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(N2CCN(c3ncccn3)CC2)cn1)N1CCCC1
InChIInChI=1S/C17H21N7O/c25-16(23-6-1-2-7-23)14-12-21-15(13-20-14)22-8-10-24(11-9-22)17-18-4-3-5-19-17/h3-5,12-13H,1-2,6-11H2
InChIKeyYYVHKBGCOYCCRJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.83
Rot. Bonds3

About [5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109273565) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is [5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID109273565
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(N2CCN(c3ncccn3)CC2)cn1)N1CCCC1
InChIInChI=1S/C17H21N7O/c25-16(23-6-1-2-7-23)14-12-21-15(13-20-14)22-8-10-24(11-9-22)17-18-4-3-5-19-17/h3-5,12-13H,1-2,6-11H2
InChIKeyYYVHKBGCOYCCRJ-UHFFFAOYSA-N
XLogP0.83
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278769
[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273545
[5-(4-ethylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273513
4-[5-(azepane-1-carbonyl)pyrazin-2-yl]piperazine-1-carbaldehyde
CID 109278935
[5-(propan-2-ylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109271423
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483
[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273559
morpholin-4-yl-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276440
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109274695
[5-(azepan-1-yl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194519
(5-morpholin-4-ylpyrazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276621
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866

Frequently Asked Questions

What is the IUPAC name of [5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 109273565) is [5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnc(N2CCN(c3ncccn3)CC2)cn1)N1CCCC1.
What is the InChIKey of [5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YYVHKBGCOYCCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c25-16(23-6-1-2-7-23)14-12-21-15(13-20-14)22-8-10-24(11-9-22)17-18-4-3-5-19-17/h3-5,12-13H,1-2,6-11H2.
What are the key properties of [5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 339.40 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109273565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).