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

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

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Related Compounds

1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
CID 133486579
1-[4-(1,3-benzothiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
CID 133486518
2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 133486542
6-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133486503
2-methyl-1-[3-methyl-4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
CID 133486528
1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol
CID 22088662
3-[3-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 146141686
4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 166382778
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 133463983
1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
CID 133486539
(1R)-1-[4-[(2S)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 11046187
(1R)-1-[4-[(2R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 10980854

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).