tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate

C15H24N4O2 — CID 59406986

IUPACtert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC(C)N1c1ncccn1
InChIInChI=1S/C15H24N4O2/c1-11-9-18(14(20)21-15(3,4)5)10-12(2)19(11)13-16-7-6-8-17-13/h6-8,11-12H,9-10H2,1-5H3
InChIKeyVTJGNBRQINKJDL-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.31
Rot. Bonds1

About tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate

tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate (PubChem CID 59406986) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
PubChem CID59406986
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC(C)N1c1ncccn1
InChIInChI=1S/C15H24N4O2/c1-11-9-18(14(20)21-15(3,4)5)10-12(2)19(11)13-16-7-6-8-17-13/h6-8,11-12H,9-10H2,1-5H3
InChIKeyVTJGNBRQINKJDL-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(5-cyclopropylpyrimidin-2-yl)-3,5-dimethylpiperazine-1-carboxylate
CID 172678363
tert-butyl (3S)-3-methyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 95247753
tert-butyl (3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 124585586
tert-butyl (3S,5R)-3,5-dimethyl-4-(pyrimidin-2-ylmethyl)piperazine-1-carboxylate
CID 100617259
tert-butyl (3S,5R)-3,5-dimethyl-4-(4-methylphenyl)piperazine-1-carboxylate
CID 175627860
tert-butyl (3R,5S)-3,5-dimethyl-4-[5-[(4-methylsulfonylphenyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
CID 58190343
tert-butyl (3S,5R)-4-(4-fluorophenyl)-3,5-dimethylpiperazine-1-carboxylate
CID 171770663
tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate
CID 152975023
tert-butyl 3-(2-chloro-2-pyrimidin-2-ylethyl)azetidine-1-carboxylate
CID 153181556
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (3S)-4-(5-cyano-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate
CID 167217529
tert-butyl 3,5-dimethyl-4-(9-methylpurin-6-yl)piperazine-1-carboxylate
CID 160775110

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate (CID 59406986) is tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CC(C)N1c1ncccn1.
What is the InChIKey of tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate?
The InChIKey is VTJGNBRQINKJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-9-18(14(20)21-15(3,4)5)10-12(2)19(11)13-16-7-6-8-17-13/h6-8,11-12H,9-10H2,1-5H3.
What are the key properties of tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate?
tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 59406986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).