2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine

C14H24N4 — CID 64845896

IUPAC2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine
SMILESCCC(C)C1CNC(C)CN1Cc1ncccn1
InChIInChI=1S/C14H24N4/c1-4-11(2)13-8-17-12(3)9-18(13)10-14-15-6-5-7-16-14/h5-7,11-13,17H,4,8-10H2,1-3H3
InChIKeyCLDHDDIXBSTWMA-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.68
Rot. Bonds4

About 2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine

2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine (PubChem CID 64845896) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine
PubChem CID64845896
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine
SMILESCCC(C)C1CNC(C)CN1Cc1ncccn1
InChIInChI=1S/C14H24N4/c1-4-11(2)13-8-17-12(3)9-18(13)10-14-15-6-5-7-16-14/h5-7,11-13,17H,4,8-10H2,1-3H3
InChIKeyCLDHDDIXBSTWMA-UHFFFAOYSA-N
XLogP1.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine
CID 64840780
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine
CID 64844318
2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine
CID 64849982
1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine
CID 64844515
2-butan-2-yl-1-butyl-5-methylpiperazine
CID 64846296
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
2-butan-2-yl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592031
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518778
2-ethyl-5-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64844286
1-benzyl-2-butan-2-yl-5-phenylpiperazine
CID 64877463

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine (CID 64845896) is 2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine is CCC(C)C1CNC(C)CN1Cc1ncccn1.
What is the InChIKey of 2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine?
The InChIKey is CLDHDDIXBSTWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-11(2)13-8-17-12(3)9-18(13)10-14-15-6-5-7-16-14/h5-7,11-13,17H,4,8-10H2,1-3H3.
What are the key properties of 2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine?
2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine has a molecular weight of 248.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butan-2-yl-5-methylpiperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 64845896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).