tert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate

C15H24BrN5O2 — CID 82667884

IUPACtert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
SMILESCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(CN)c1Br
InChIInChI=1S/C15H24BrN5O2/c1-10-12(16)11(9-17)19-13(18-10)20-5-7-21(8-6-20)14(22)23-15(2,3)4/h5-9,17H2,1-4H3
InChIKeyOACHMGXFUDKYTO-UHFFFAOYSA-N
MW386.29 g/mol
LogP2.06
Rot. Bonds2

About tert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate (PubChem CID 82667884) has the molecular formula C15H24BrN5O2 and a molecular weight of 386.29 g/mol. Its IUPAC name is tert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
PubChem CID82667884
Molecular FormulaC15H24BrN5O2
Molecular Weight386.29 g/mol
Exact Mass385.11
IUPAC Nametert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
SMILESCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(CN)c1Br
InChIInChI=1S/C15H24BrN5O2/c1-10-12(16)11(9-17)19-13(18-10)20-5-7-21(8-6-20)14(22)23-15(2,3)4/h5-9,17H2,1-4H3
InChIKeyOACHMGXFUDKYTO-UHFFFAOYSA-N
XLogP2.06
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[4,6-bis[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]-1,3,5-triazin-2-yl]-1,4-diazepane-1-carboxylate
CID 90317962
tert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 155344815
ethyl 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 46739184
tert-butyl 4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazine-1-carboxylate
CID 88917317
tert-butyl 4-[3-(aminomethyl)-5-bromophenyl]piperazine-1-carboxylate
CID 102814349
5-bromo-2-chloropyrimidine;tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate
CID 157454691
tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
CID 104933395
tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate;ethane
CID 177246070
tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 177246071
tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
CID 59464319
tritert-butyl 10-[4-heptyl-6-[4,7,10-tris[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]-1,3,5-triazin-2-yl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 53388012
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;ethane
CID 156798550

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate (CID 82667884) is tert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate is Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(CN)c1Br.
What is the InChIKey of tert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate?
The InChIKey is OACHMGXFUDKYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN5O2/c1-10-12(16)11(9-17)19-13(18-10)20-5-7-21(8-6-20)14(22)23-15(2,3)4/h5-9,17H2,1-4H3.
What are the key properties of tert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate has a molecular weight of 386.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 82667884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).