ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine

C13H26N4 — CID 156641310

IUPACethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine
SMILESCC.CC(C)N1CCN(C2=NCC=CN2)CC1
InChIInChI=1S/C11H20N4.C2H6/c1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11;1-2/h3-4,10H,5-9H2,1-2H3,(H,12,13);1-2H3
InChIKeyQAAIBCAEWVBYDO-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.51
Rot. Bonds1

About ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine

ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine (PubChem CID 156641310) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Nameethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine
PubChem CID156641310
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Nameethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine
SMILESCC.CC(C)N1CCN(C2=NCC=CN2)CC1
InChIInChI=1S/C11H20N4.C2H6/c1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11;1-2/h3-4,10H,5-9H2,1-2H3,(H,12,13);1-2H3
InChIKeyQAAIBCAEWVBYDO-UHFFFAOYSA-N
XLogP1.51
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-yl-4H-pyrimidine-3-carbonitrile
CID 53892295
2-(4-Methylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 54066096
3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine
CID 54503418
3-piperazin-2-yl-4H-pyrimidine
CID 57229577
2-Piperazin-1-yl-1,4-dihydropyrimidine
CID 89128712
N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide
CID 89336887
3-(piperazin-1-ylmethyl)-4H-pyrimidine
CID 90821929
1-(1-But-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90847682
4-Piperazin-1-yl-1,4-dihydropyrimidine
CID 91011480
3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine
CID 91423819
N-[(E)-1-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide
CID 118973028
4-Methyl-6-piperazin-1-yl-1,4-dihydropyrimidine
CID 118973363

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine?
The IUPAC name of ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine (CID 156641310) is ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine.
What is the SMILES notation for ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine?
The canonical SMILES for ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine is CC.CC(C)N1CCN(C2=NCC=CN2)CC1.
What is the InChIKey of ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine?
The InChIKey is QAAIBCAEWVBYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4.C2H6/c1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11;1-2/h3-4,10H,5-9H2,1-2H3,(H,12,13);1-2H3.
What are the key properties of ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine?
ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine has a molecular weight of 238.38 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-propan-2-ylpiperazin-1-yl)-1,4-dihydropyrimidine is sourced from PubChem (CID 156641310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).