5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine

C17H31N5 — CID 23527326

IUPAC5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1nc(NCCN2CCNCC2)ncc1C(C)(C)C
InChIInChI=1S/C17H31N5/c1-13(2)15-14(17(3,4)5)12-20-16(21-15)19-8-11-22-9-6-18-7-10-22/h12-13,18H,6-11H2,1-5H3,(H,19,20,21)
InChIKeyMAYNJWDFPLFJTJ-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.21
Rot. Bonds5

About 5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine

5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine (PubChem CID 23527326) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine
PubChem CID23527326
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1nc(NCCN2CCNCC2)ncc1C(C)(C)C
InChIInChI=1S/C17H31N5/c1-13(2)15-14(17(3,4)5)12-20-16(21-15)19-8-11-22-9-6-18-7-10-22/h12-13,18H,6-11H2,1-5H3,(H,19,20,21)
InChIKeyMAYNJWDFPLFJTJ-UHFFFAOYSA-N
XLogP2.21
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-methoxy-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 106998060
4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 62958220
6-methyl-N-(2-piperazin-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43600421
5-ethyl-N-(3-piperazin-1-ylpropyl)pyrimidin-2-amine
CID 116976068
5-tert-butyl-2,4-di(propan-2-yl)pyrimidine
CID 176827560
6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one
CID 70163545
6-methyl-4-N-(2-piperazin-1-ylethyl)pyrimidine-2,4-diamine
CID 10354114
N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43600453
6-chloro-N-(2-piperazin-1-ylethyl)pyrazin-2-amine
CID 116650770
5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82510651
2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 23592356
N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine
CID 61241307

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine (CID 23527326) is 5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine is CC(C)c1nc(NCCN2CCNCC2)ncc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine?
The InChIKey is MAYNJWDFPLFJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5/c1-13(2)15-14(17(3,4)5)12-20-16(21-15)19-8-11-22-9-6-18-7-10-22/h12-13,18H,6-11H2,1-5H3,(H,19,20,21).
What are the key properties of 5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine?
5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine has a molecular weight of 305.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2-piperazin-1-ylethyl)-4-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 23527326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).