butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

C21H34N8 — CID 171070118

IUPACbutane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
SMILESCCCC.CN1CCN(c2cc(N3CCN(c4ncccn4)CC3)ncn2)CC1
InChIInChI=1S/C17H24N8.C4H10/c1-22-5-7-23(8-6-22)15-13-16(21-14-20-15)24-9-11-25(12-10-24)17-18-3-2-4-19-17;1-3-4-2/h2-4,13-14H,5-12H2,1H3;3-4H2,1-2H3
InChIKeyXECQJOPTDFXRRL-UHFFFAOYSA-N
MW398.56 g/mol
LogP2.15
Rot. Bonds4

About butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 171070118) has the molecular formula C21H34N8 and a molecular weight of 398.56 g/mol. Its IUPAC name is butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Namebutane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID171070118
Molecular FormulaC21H34N8
Molecular Weight398.56 g/mol
Exact Mass398.29
IUPAC Namebutane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
SMILESCCCC.CN1CCN(c2cc(N3CCN(c4ncccn4)CC3)ncn2)CC1
InChIInChI=1S/C17H24N8.C4H10/c1-22-5-7-23(8-6-22)15-13-16(21-14-20-15)24-9-11-25(12-10-24)17-18-3-2-4-19-17;1-3-4-2/h2-4,13-14H,5-12H2,1H3;3-4H2,1-2H3
InChIKeyXECQJOPTDFXRRL-UHFFFAOYSA-N
XLogP2.15
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593
ethyl 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112862923
4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 172891083
4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858250
1-methyl-4-pyrimidin-2-yl-1,4-diazepane;dihydrochloride
CID 122160375
butane;2-piperazin-1-ylpyrimidine
CID 144912345
N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863365
4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 56922206
6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
CID 112857956
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944

Frequently Asked Questions

What is the IUPAC name of butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine (CID 171070118) is butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine is CCCC.CN1CCN(c2cc(N3CCN(c4ncccn4)CC3)ncn2)CC1.
What is the InChIKey of butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is XECQJOPTDFXRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8.C4H10/c1-22-5-7-23(8-6-22)15-13-16(21-14-20-15)24-9-11-25(12-10-24)17-18-3-2-4-19-17;1-3-4-2/h2-4,13-14H,5-12H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 398.56 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 171070118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).