5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol

C20H36N4O — CID 166459574

IUPAC5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol
SMILESCC(C)O.CC(C)c1ncc(N2CCN(C3CCCCC3)CC2)cn1
InChIInChI=1S/C17H28N4.C3H8O/c1-14(2)17-18-12-16(13-19-17)21-10-8-20(9-11-21)15-6-4-3-5-7-15;1-3(2)4/h12-15H,3-11H2,1-2H3;3-4H,1-2H3
InChIKeyPDBBLWGKPWHZTD-UHFFFAOYSA-N
MW348.54 g/mol
LogP3.44
Rot. Bonds3

About 5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol

5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol (PubChem CID 166459574) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is 5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol.

Molecular Properties

Compound Name5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol
PubChem CID166459574
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol
SMILESCC(C)O.CC(C)c1ncc(N2CCN(C3CCCCC3)CC2)cn1
InChIInChI=1S/C17H28N4.C3H8O/c1-14(2)17-18-12-16(13-19-17)21-10-8-20(9-11-21)15-6-4-3-5-7-15;1-3(2)4/h12-15H,3-11H2,1-2H3;3-4H,1-2H3
InChIKeyPDBBLWGKPWHZTD-UHFFFAOYSA-N
XLogP3.44
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol
CID 166459295
5-(azetidin-1-yl)-2-propan-2-ylpyrimidine
CID 170405320
2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane
CID 170613655
1-[9-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-3-azaspiro[5.5]undecan-3-yl]propan-1-one
CID 166459456
(1R)-1-[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938687
ethane;propanal;2-propan-2-yl-5-(4-spiro[3.3]heptan-2-ylpiperazin-1-yl)pyrimidine
CID 166458569
5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086332
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 79929639
1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine
CID 178176822
(1R)-1-[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]ethanamine
CID 83122006
5-piperazin-1-yl-2-propan-2-ylpyrimidine
CID 84674611
(1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol
CID 83131405

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol?
The IUPAC name of 5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol (CID 166459574) is 5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol.
What is the SMILES notation for 5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol?
The canonical SMILES for 5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol is CC(C)O.CC(C)c1ncc(N2CCN(C3CCCCC3)CC2)cn1.
What is the InChIKey of 5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol?
The InChIKey is PDBBLWGKPWHZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.C3H8O/c1-14(2)17-18-12-16(13-19-17)21-10-8-20(9-11-21)15-6-4-3-5-7-15;1-3(2)4/h12-15H,3-11H2,1-2H3;3-4H,1-2H3.
What are the key properties of 5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol?
5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol has a molecular weight of 348.54 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol is sourced from PubChem (CID 166459574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).