tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate

C14H22N4O3 — CID 156898070

IUPACtert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate
SMILESCOc1cncnc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)18-7-5-17(6-8-18)12-11(20-4)9-15-10-16-12/h9-10H,5-8H2,1-4H3
InChIKeyVURNCZRPBXBFFG-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.54
Rot. Bonds2

About tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 156898070) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID156898070
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Nametert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate
SMILESCOc1cncnc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)18-7-5-17(6-8-18)12-11(20-4)9-15-10-16-12/h9-10H,5-8H2,1-4H3
InChIKeyVURNCZRPBXBFFG-UHFFFAOYSA-N
XLogP1.54
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
tert-butyl 4-(5-iodo-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 156898021
tert-butyl 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylate
CID 11429163
tert-butyl 4-(7-bromo-8-fluoro-5-methoxyquinazolin-4-yl)piperazine-1-carboxylate
CID 142468997
tert-butyl 4-(5-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 71748362
tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
tert-butyl 2-(5-phenoxypyrimidin-4-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 167214011
tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate
CID 133059522
tert-butyl 4-[6-iodo-3-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate
CID 53252484
tert-butyl 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 143606979
6-methoxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-4-carboxylic acid
CID 143755941
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 169205005

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate (CID 156898070) is tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate is COc1cncnc1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is VURNCZRPBXBFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)18-7-5-17(6-8-18)12-11(20-4)9-15-10-16-12/h9-10H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.54, 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-methoxypyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 156898070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).