2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine

C12H20N4 — CID 123528373

IUPAC2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine
SMILESCC1CN(c2nccc(C(C)C)n2)CCN1
InChIInChI=1S/C12H20N4/c1-9(2)11-4-5-14-12(15-11)16-7-6-13-10(3)8-16/h4-5,9-10,13H,6-8H2,1-3H3
InChIKeyCWMSPXLFRIJJSK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.40
Rot. Bonds2

About 2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine

2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine (PubChem CID 123528373) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine
PubChem CID123528373
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine
SMILESCC1CN(c2nccc(C(C)C)n2)CCN1
InChIInChI=1S/C12H20N4/c1-9(2)11-4-5-14-12(15-11)16-7-6-13-10(3)8-16/h4-5,9-10,13H,6-8H2,1-3H3
InChIKeyCWMSPXLFRIJJSK-UHFFFAOYSA-N
XLogP1.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine (CID 123528373) is 2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine is CC1CN(c2nccc(C(C)C)n2)CCN1.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine?
The InChIKey is CWMSPXLFRIJJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9(2)11-4-5-14-12(15-11)16-7-6-13-10(3)8-16/h4-5,9-10,13H,6-8H2,1-3H3.
What are the key properties of 2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine?
2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine has a molecular weight of 220.32 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine is sourced from PubChem (CID 123528373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).