tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate

C16H26N4O2 — CID 67371513

IUPACtert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate
SMILESCc1nc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1N
InChIInChI=1S/C16H26N4O2/c1-11-10-19(14-7-6-13(17)12(2)18-14)8-9-20(11)15(21)22-16(3,4)5/h6-7,11H,8-10,17H2,1-5H3
InChIKeyORLLYLGMIKFPCE-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.42
Rot. Bonds1

About tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate

tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate (PubChem CID 67371513) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate
PubChem CID67371513
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate
SMILESCc1nc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1N
InChIInChI=1S/C16H26N4O2/c1-11-10-19(14-7-6-13(17)12(2)18-14)8-9-20(11)15(21)22-16(3,4)5/h6-7,11H,8-10,17H2,1-5H3
InChIKeyORLLYLGMIKFPCE-UHFFFAOYSA-N
XLogP2.42
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-4-(6-bromo-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 86329596
tert-butyl (2R)-4-(2-tert-butylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499466
tert-butyl (2R)-4-(6-chloro-2-methylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499251
tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 93206779
tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane
CID 160643676
[(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate
CID 174591422
tert-butyl (2R)-4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 70277320
tert-butyl (2S)-4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 134500389
tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 68545431
tert-butyl (2R)-4-(6-methoxypyrazin-2-yl)-2-methylpiperazine-1-carboxylate
CID 70278173
tert-butyl (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 86331449
tert-butyl 4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 66569758

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate (CID 67371513) is tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate is Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1N.
What is the InChIKey of tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate?
The InChIKey is ORLLYLGMIKFPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-10-19(14-7-6-13(17)12(2)18-14)8-9-20(11)15(21)22-16(3,4)5/h6-7,11H,8-10,17H2,1-5H3.
What are the key properties of tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate?
tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 67371513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).