ethane;2-(4-methylpiperazin-1-yl)pyrimidine

C13H26N4 — CID 143004762

IUPACethane;2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCC.CC.CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C9H14N4.2C2H6/c1-12-5-7-13(8-6-12)9-10-3-2-4-11-9;2*1-2/h2-4H,5-8H2,1H3;2*1-2H3
InChIKeyXTXGLDPYZGDGET-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.28
Rot. Bonds1

About ethane;2-(4-methylpiperazin-1-yl)pyrimidine

ethane;2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 143004762) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is ethane;2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Nameethane;2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID143004762
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Nameethane;2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCC.CC.CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C9H14N4.2C2H6/c1-12-5-7-13(8-6-12)9-10-3-2-4-11-9;2*1-2/h2-4H,5-8H2,1H3;2*1-2H3
InChIKeyXTXGLDPYZGDGET-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-pyrimidin-2-yl-1,4-diazepane;dihydrochloride
CID 122160375
butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 171070118
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
3-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110854951
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
2-methyl-7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 171070249
2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine
CID 171069848
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 44613516
1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine
CID 156839759
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of ethane;2-(4-methylpiperazin-1-yl)pyrimidine (CID 143004762) is ethane;2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for ethane;2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for ethane;2-(4-methylpiperazin-1-yl)pyrimidine is CC.CC.CN1CCN(c2ncccn2)CC1.
What is the InChIKey of ethane;2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is XTXGLDPYZGDGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.2C2H6/c1-12-5-7-13(8-6-12)9-10-3-2-4-11-9;2*1-2/h2-4H,5-8H2,1H3;2*1-2H3.
What are the key properties of ethane;2-(4-methylpiperazin-1-yl)pyrimidine?
ethane;2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 238.38 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 143004762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).