5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine

C14H24N4 — CID 166010053

IUPAC5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine
SMILESCC1CNCCN1c1ncc(CC(C)(C)C)cn1
InChIInChI=1S/C14H24N4/c1-11-8-15-5-6-18(11)13-16-9-12(10-17-13)7-14(2,3)4/h9-11,15H,5-8H2,1-4H3
InChIKeySZNZONNEWPHSEM-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.86
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine

5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine (PubChem CID 166010053) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine
PubChem CID166010053
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine
SMILESCC1CNCCN1c1ncc(CC(C)(C)C)cn1
InChIInChI=1S/C14H24N4/c1-11-8-15-5-6-18(11)13-16-9-12(10-17-13)7-14(2,3)4/h9-11,15H,5-8H2,1-4H3
InChIKeySZNZONNEWPHSEM-UHFFFAOYSA-N
XLogP1.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine (CID 166010053) is 5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine is CC1CNCCN1c1ncc(CC(C)(C)C)cn1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine?
The InChIKey is SZNZONNEWPHSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-8-15-5-6-18(11)13-16-9-12(10-17-13)7-14(2,3)4/h9-11,15H,5-8H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine?
5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine has a molecular weight of 248.37 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 166010053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).