6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine

C13H24N4 — CID 139351424

IUPAC6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
SMILESCN1CCN(C2=NCC=C(C(C)(C)C)N2)CC1
InChIInChI=1S/C13H24N4/c1-13(2,3)11-5-6-14-12(15-11)17-9-7-16(4)8-10-17/h5H,6-10H2,1-4H3,(H,14,15)
InChIKeyAAWRPDCKAJXDLP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.12
Rot. Bonds

About 6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine

6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine (PubChem CID 139351424) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
PubChem CID139351424
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
SMILESCN1CCN(C2=NCC=C(C(C)(C)C)N2)CC1
InChIInChI=1S/C13H24N4/c1-13(2,3)11-5-6-14-12(15-11)17-9-7-16(4)8-10-17/h5H,6-10H2,1-4H3,(H,14,15)
InChIKeyAAWRPDCKAJXDLP-UHFFFAOYSA-N
XLogP1.12
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
The IUPAC name of 6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine (CID 139351424) is 6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine.
What is the SMILES notation for 6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
The canonical SMILES for 6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine is CN1CCN(C2=NCC=C(C(C)(C)C)N2)CC1.
What is the InChIKey of 6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
The InChIKey is AAWRPDCKAJXDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(2,3)11-5-6-14-12(15-11)17-9-7-16(4)8-10-17/h5H,6-10H2,1-4H3,(H,14,15).
What are the key properties of 6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine has a molecular weight of 236.36 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine is sourced from PubChem (CID 139351424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).