5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane

C13H24N4 — CID 145233053

IUPAC5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
SMILESCC(C)C.Cc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C9H14N4.C4H10/c1-8-6-11-9(12-7-8)13-4-2-10-3-5-13;1-4(2)3/h6-7,10H,2-5H2,1H3;4H,1-3H3
InChIKeyOTEYSCPBRCUPBP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.86
Rot. Bonds1

About 5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane

5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane (PubChem CID 145233053) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane.

Molecular Properties

Compound Name5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
PubChem CID145233053
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
SMILESCC(C)C.Cc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C9H14N4.C4H10/c1-8-6-11-9(12-7-8)13-4-2-10-3-5-13;1-4(2)3/h6-7,10H,2-5H2,1H3;4H,1-3H3
InChIKeyOTEYSCPBRCUPBP-UHFFFAOYSA-N
XLogP1.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-yl-5-propan-2-ylpyrimidine
CID 103278323
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217
3,6-di(piperazin-1-yl)-1,2,4-triazine
CID 129162608
5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine
CID 117224212
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride
CID 154810154
2-piperazin-1-yl-1,3,5-triazine
CID 2760673
1-(5-methylpyrimidin-2-yl)piperidin-4-one
CID 63208322
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane?
The IUPAC name of 5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane (CID 145233053) is 5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane.
What is the SMILES notation for 5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane?
The canonical SMILES for 5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane is CC(C)C.Cc1cnc(N2CCNCC2)nc1.
What is the InChIKey of 5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane?
The InChIKey is OTEYSCPBRCUPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.C4H10/c1-8-6-11-9(12-7-8)13-4-2-10-3-5-13;1-4(2)3/h6-7,10H,2-5H2,1H3;4H,1-3H3.
What are the key properties of 5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane?
5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane has a molecular weight of 236.36 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane is sourced from PubChem (CID 145233053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).