(4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone

C13H21N5O — CID 166351541

IUPAC(4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc3n2CCCN3)CC1
InChIInChI=1S/C13H21N5O/c1-2-16-6-8-17(9-7-16)12(19)11-10-15-13-14-4-3-5-18(11)13/h10H,2-9H2,1H3,(H,14,15)
InChIKeyKZPDJFTWFXGLNS-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.48
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone

(4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone (PubChem CID 166351541) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone
PubChem CID166351541
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc3n2CCCN3)CC1
InChIInChI=1S/C13H21N5O/c1-2-16-6-8-17(9-7-16)12(19)11-10-15-13-14-4-3-5-18(11)13/h10H,2-9H2,1H3,(H,14,15)
InChIKeyKZPDJFTWFXGLNS-UHFFFAOYSA-N
XLogP0.48
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone
CID 110691366
(4-ethylpiperazin-1-yl)-imidazo[2,1-b][1,3]thiazol-3-ylmethanone
CID 110850018
[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 63722502
(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849515
(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284
(4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone
CID 53014171
1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254149
(4-ethylpiperazin-1-yl)-pyrido[2,3-b]pyrazin-8-ylmethanone
CID 139018091
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
10-ethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 177187641
[5-(cyclopentylamino)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109274083
(4-ethylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62172305

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone (CID 166351541) is (4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone is CCN1CCN(C(=O)c2cnc3n2CCCN3)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone?
The InChIKey is KZPDJFTWFXGLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-16-6-8-17(9-7-16)12(19)11-10-15-13-14-4-3-5-18(11)13/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of (4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone?
(4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 166351541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).