5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine

C13H20N4 — CID 116976419

IUPAC5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine
SMILESCC1CNCCN1c1ncc(C2CCC2)cn1
InChIInChI=1S/C13H20N4/c1-10-7-14-5-6-17(10)13-15-8-12(9-16-13)11-3-2-4-11/h8-11,14H,2-7H2,1H3
InChIKeyYQVBEHYELHSEME-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.54
Rot. Bonds2

About 5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine

5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine (PubChem CID 116976419) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine
PubChem CID116976419
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine
SMILESCC1CNCCN1c1ncc(C2CCC2)cn1
InChIInChI=1S/C13H20N4/c1-10-7-14-5-6-17(10)13-15-8-12(9-16-13)11-3-2-4-11/h8-11,14H,2-7H2,1H3
InChIKeyYQVBEHYELHSEME-UHFFFAOYSA-N
XLogP1.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpiperazin-1-yl)pyrimidin-5-ol
CID 67037782
5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine
CID 166010053
5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 89340460
2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride
CID 167442340
2-(2-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine;hydrochloride
CID 175390349
ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine
CID 167450441
4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 86329330
2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole
CID 151453057
3-[(2S)-2-methylpiperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline
CID 176915206
4-methoxy-2-(2-methylpiperazin-1-yl)pyrimidine
CID 62672840
4-methyl-5-(2-methylpiperazin-1-yl)pyrimidine
CID 82669790
4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine
CID 57212261

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine (CID 116976419) is 5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine is CC1CNCCN1c1ncc(C2CCC2)cn1.
What is the InChIKey of 5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine?
The InChIKey is YQVBEHYELHSEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-7-14-5-6-17(10)13-15-8-12(9-16-13)11-3-2-4-11/h8-11,14H,2-7H2,1H3.
What are the key properties of 5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine?
5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine has a molecular weight of 232.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 116976419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).