2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine

C17H22N6O — CID 95792345

IUPAC2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine
SMILESCN1CCN(c2ncc(-c3cnccn3)c([C@H]3CCCO3)n2)CC1
InChIInChI=1S/C17H22N6O/c1-22-6-8-23(9-7-22)17-20-11-13(14-12-18-4-5-19-14)16(21-17)15-3-2-10-24-15/h4-5,11-12,15H,2-3,6-10H2,1H3/t15-/m1/s1
InChIKeyURAFCTCILLUWAD-OAHLLOKOSA-N
MW326.40 g/mol
LogP1.54
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine

2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine (PubChem CID 95792345) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine
PubChem CID95792345
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine
SMILESCN1CCN(c2ncc(-c3cnccn3)c([C@H]3CCCO3)n2)CC1
InChIInChI=1S/C17H22N6O/c1-22-6-8-23(9-7-22)17-20-11-13(14-12-18-4-5-19-14)16(21-17)15-3-2-10-24-15/h4-5,11-12,15H,2-3,6-10H2,1H3/t15-/m1/s1
InChIKeyURAFCTCILLUWAD-OAHLLOKOSA-N
XLogP1.54
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine (CID 95792345) is 2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine is CN1CCN(c2ncc(-c3cnccn3)c([C@H]3CCCO3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine?
The InChIKey is URAFCTCILLUWAD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N6O/c1-22-6-8-23(9-7-22)17-20-11-13(14-12-18-4-5-19-14)16(21-17)15-3-2-10-24-15/h4-5,11-12,15H,2-3,6-10H2,1H3/t15-/m1/s1.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine?
2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine has a molecular weight of 326.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidine is sourced from PubChem (CID 95792345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).