2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine

C17H27N5 — CID 163732294

IUPAC2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine
SMILESCC(C)CC1=CN=C(N2CCN(C)CC2)C2=NC(C)C=CN12
InChIInChI=1S/C17H27N5/c1-13(2)11-15-12-18-16(21-9-7-20(4)8-10-21)17-19-14(3)5-6-22(15)17/h5-6,12-14H,7-11H2,1-4H3
InChIKeyLAQILTXJTSEVJA-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.15
Rot. Bonds2

About 2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine

2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine (PubChem CID 163732294) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine
PubChem CID163732294
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine
SMILESCC(C)CC1=CN=C(N2CCN(C)CC2)C2=NC(C)C=CN12
InChIInChI=1S/C17H27N5/c1-13(2)11-15-12-18-16(21-9-7-20(4)8-10-21)17-19-14(3)5-6-22(15)17/h5-6,12-14H,7-11H2,1-4H3
InChIKeyLAQILTXJTSEVJA-UHFFFAOYSA-N
XLogP2.15
TPSA34.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine?
The IUPAC name of 2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine (CID 163732294) is 2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine.
What is the SMILES notation for 2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine?
The canonical SMILES for 2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine is CC(C)CC1=CN=C(N2CCN(C)CC2)C2=NC(C)C=CN12.
What is the InChIKey of 2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine?
The InChIKey is LAQILTXJTSEVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-13(2)11-15-12-18-16(21-9-7-20(4)8-10-21)17-19-14(3)5-6-22(15)17/h5-6,12-14H,7-11H2,1-4H3.
What are the key properties of 2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine?
2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine has a molecular weight of 301.44 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-2H-pyrazino[1,2-a]pyrimidine is sourced from PubChem (CID 163732294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).