2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine

C15H25N5O — CID 144655136

IUPAC2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine
SMILESCC(C)(C)N1CCN(c2nccc(NC3COC3)n2)CC1
InChIInChI=1S/C15H25N5O/c1-15(2,3)20-8-6-19(7-9-20)14-16-5-4-13(18-14)17-12-10-21-11-12/h4-5,12H,6-11H2,1-3H3,(H,16,17,18)
InChIKeyMJZVSFSWSWYQAQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.21
Rot. Bonds3

About 2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine

2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine (PubChem CID 144655136) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine
PubChem CID144655136
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine
SMILESCC(C)(C)N1CCN(c2nccc(NC3COC3)n2)CC1
InChIInChI=1S/C15H25N5O/c1-15(2,3)20-8-6-19(7-9-20)14-16-5-4-13(18-14)17-12-10-21-11-12/h4-5,12H,6-11H2,1-3H3,(H,16,17,18)
InChIKeyMJZVSFSWSWYQAQ-UHFFFAOYSA-N
XLogP1.21
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227388
4-N-(3-methoxy-2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 122536475
(2,2-Dimethyl-propyl)-(4-piperazin-1-yl-pyrimidin-2-yl)-amine
CID 58227381
Cor 3286
CID 86184
N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 61253199
4-N-(2-amino-2-methylpropyl)pyrimidine-2,4-diamine
CID 49856813
4-(3-Aminoazetidin-1-yl)-n-(1-methylethyl)pyrimidin-2-amine
CID 58227196
Isobutyl-(4-piperazin-1-yl-pyrimidin-2-yl)-amine
CID 58227230

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine (CID 144655136) is 2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine is CC(C)(C)N1CCN(c2nccc(NC3COC3)n2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine?
The InChIKey is MJZVSFSWSWYQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-15(2,3)20-8-6-19(7-9-20)14-16-5-4-13(18-14)17-12-10-21-11-12/h4-5,12H,6-11H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine?
2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine has a molecular weight of 291.40 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 144655136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).