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

C13H21N5O — CID 136879067

IUPAC(2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cn2c(n1)NCCC2
InChIInChI=1S/C13H21N5O/c1-10-8-16(2)6-7-18(10)12(19)11-9-17-5-3-4-14-13(17)15-11/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyQTKHQHIHOAWVII-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.47
Rot. Bonds1

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

(2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (PubChem CID 136879067) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
PubChem CID136879067
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cn2c(n1)NCCC2
InChIInChI=1S/C13H21N5O/c1-10-8-16(2)6-7-18(10)12(19)11-9-17-5-3-4-14-13(17)15-11/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyQTKHQHIHOAWVII-UHFFFAOYSA-N
XLogP0.47
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (CID 136879067) is (2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is CC1CN(C)CCN1C(=O)c1cn2c(n1)NCCC2.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The InChIKey is QTKHQHIHOAWVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10-8-16(2)6-7-18(10)12(19)11-9-17-5-3-4-14-13(17)15-11/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of (2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
(2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 136879067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).