2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine

C13H22N4 — CID 178104268

IUPAC2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine
SMILESCC(C)Cc1ncc(CN2CCNCC2)cn1
InChIInChI=1S/C13H22N4/c1-11(2)7-13-15-8-12(9-16-13)10-17-5-3-14-4-6-17/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyKHLWGRITJOLDEB-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.08
Rot. Bonds4

About 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine

2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine (PubChem CID 178104268) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine
PubChem CID178104268
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine
SMILESCC(C)Cc1ncc(CN2CCNCC2)cn1
InChIInChI=1S/C13H22N4/c1-11(2)7-13-15-8-12(9-16-13)10-17-5-3-14-4-6-17/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyKHLWGRITJOLDEB-UHFFFAOYSA-N
XLogP1.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191059
2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine
CID 146481782
2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine
CID 146481780
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
5-methoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 84780252
5-(chloromethyl)-2-(2-methylpropyl)pyrimidine
CID 62756081
5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82510651
1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
CID 4279742
5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one
CID 82510622
1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
CID 138459736
5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine
CID 170612877
6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84786136

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine?
The IUPAC name of 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine (CID 178104268) is 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine.
What is the SMILES notation for 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine?
The canonical SMILES for 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine is CC(C)Cc1ncc(CN2CCNCC2)cn1.
What is the InChIKey of 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine?
The InChIKey is KHLWGRITJOLDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(2)7-13-15-8-12(9-16-13)10-17-5-3-14-4-6-17/h8-9,11,14H,3-7,10H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine?
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine has a molecular weight of 234.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine is sourced from PubChem (CID 178104268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).