2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol

C16H28N4O — CID 133486500

IUPAC2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCC(C)c1nccc(N2CCN(CC(C)(C)O)CC2C)n1
InChIInChI=1S/C16H28N4O/c1-12(2)15-17-7-6-14(18-15)20-9-8-19(10-13(20)3)11-16(4,5)21/h6-7,12-13,21H,8-11H2,1-5H3
InChIKeyMAIBGWUTZRUYLK-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.88
Rot. Bonds4

About 2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol

2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 133486500) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID133486500
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCC(C)c1nccc(N2CCN(CC(C)(C)O)CC2C)n1
InChIInChI=1S/C16H28N4O/c1-12(2)15-17-7-6-14(18-15)20-9-8-19(10-13(20)3)11-16(4,5)21/h6-7,12-13,21H,8-11H2,1-5H3
InChIKeyMAIBGWUTZRUYLK-UHFFFAOYSA-N
XLogP1.88
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol (CID 133486500) is 2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol is CC(C)c1nccc(N2CCN(CC(C)(C)O)CC2C)n1.
What is the InChIKey of 2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is MAIBGWUTZRUYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)15-17-7-6-14(18-15)20-9-8-19(10-13(20)3)11-16(4,5)21/h6-7,12-13,21H,8-11H2,1-5H3.
What are the key properties of 2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 292.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133486500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).