4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine

C14H24N4 — CID 114112242

IUPAC4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine
SMILESCCC(C)C1CN(Cc2ccncn2)C(C)CN1
InChIInChI=1S/C14H24N4/c1-4-11(2)14-9-18(12(3)7-16-14)8-13-5-6-15-10-17-13/h5-6,10-12,14,16H,4,7-9H2,1-3H3
InChIKeyFGUZTWHTIPTBOT-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.68
Rot. Bonds4

About 4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine

4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine (PubChem CID 114112242) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine
PubChem CID114112242
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine
SMILESCCC(C)C1CN(Cc2ccncn2)C(C)CN1
InChIInChI=1S/C14H24N4/c1-4-11(2)14-9-18(12(3)7-16-14)8-13-5-6-15-10-17-13/h5-6,10-12,14,16H,4,7-9H2,1-3H3
InChIKeyFGUZTWHTIPTBOT-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

5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64847638
2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64936642
5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine
CID 105410061
5-butan-2-yl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64939246
5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64847641
5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64847262
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64850164
5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 102879595
2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine
CID 64849982
5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine
CID 64936261
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030

Frequently Asked Questions

What is the IUPAC name of 4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine (CID 114112242) is 4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine is CCC(C)C1CN(Cc2ccncn2)C(C)CN1.
What is the InChIKey of 4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine?
The InChIKey is FGUZTWHTIPTBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-11(2)14-9-18(12(3)7-16-14)8-13-5-6-15-10-17-13/h5-6,10-12,14,16H,4,7-9H2,1-3H3.
What are the key properties of 4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine?
4-[(5-butan-2-yl-2-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 4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 114112242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).