tert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate

C15H23BrN4O3 — CID 155344815

IUPACtert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCOc1nc(C)c(Br)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H23BrN4O3/c1-10-11(16)12(18-13(17-10)22-5)19-6-8-20(9-7-19)14(21)23-15(2,3)4/h6-9H2,1-5H3
InChIKeyDHCHZDVHBYSEGD-UHFFFAOYSA-N
MW387.28 g/mol
LogP2.61
Rot. Bonds2

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

tert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 155344815) has the molecular formula C15H23BrN4O3 and a molecular weight of 387.28 g/mol. Its IUPAC name is tert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID155344815
Molecular FormulaC15H23BrN4O3
Molecular Weight387.28 g/mol
Exact Mass386.10
IUPAC Nametert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCOc1nc(C)c(Br)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H23BrN4O3/c1-10-11(16)12(18-13(17-10)22-5)19-6-8-20(9-7-19)14(21)23-15(2,3)4/h6-9H2,1-5H3
InChIKeyDHCHZDVHBYSEGD-UHFFFAOYSA-N
XLogP2.61
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(3-bromo-4-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 176508616
tert-butyl 4-[4-(aminomethyl)-5-bromo-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
CID 82667884
tert-butyl 4-(5-bromo-2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate
CID 146251961
tert-butyl 4-(5-iodo-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 156898021
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
CID 178002085
CID 178002085
tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate
CID 156898070
tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylate
CID 91527425
tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate
CID 166485451
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-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate
CID 58447020

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate (CID 155344815) is tert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate is COc1nc(C)c(Br)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is DHCHZDVHBYSEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O3/c1-10-11(16)12(18-13(17-10)22-5)19-6-8-20(9-7-19)14(21)23-15(2,3)4/h6-9H2,1-5H3.
What are the key properties of tert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 387.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-bromo-2-methoxy-6-methylpyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 155344815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).