(2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone

C13H17N5O — CID 71877303

IUPAC(2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESCC1CN(C)CCN1C(=O)c1cn2cccnc2n1
InChIInChI=1S/C13H17N5O/c1-10-8-16(2)6-7-18(10)12(19)11-9-17-5-3-4-14-13(17)15-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyXZDCWFSMJOPHGN-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.51
Rot. Bonds1

About (2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone

(2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone (PubChem CID 71877303) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone
PubChem CID71877303
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESCC1CN(C)CCN1C(=O)c1cn2cccnc2n1
InChIInChI=1S/C13H17N5O/c1-10-8-16(2)6-7-18(10)12(19)11-9-17-5-3-4-14-13(17)15-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyXZDCWFSMJOPHGN-UHFFFAOYSA-N
XLogP0.51
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone (CID 71877303) is (2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone is CC1CN(C)CCN1C(=O)c1cn2cccnc2n1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The InChIKey is XZDCWFSMJOPHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-8-16(2)6-7-18(10)12(19)11-9-17-5-3-4-14-13(17)15-11/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone?
(2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone has a molecular weight of 259.31 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 71877303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).