tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate

C15H24N4O2 — CID 86690166

IUPACtert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C15H24N4O2/c1-5-12-10-13(17-11-16-12)18-6-8-19(9-7-18)14(20)21-15(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyWRHLOIGMMJYGJA-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.10
Rot. Bonds2

About tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 86690166) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID86690166
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C15H24N4O2/c1-5-12-10-13(17-11-16-12)18-6-8-19(9-7-18)14(20)21-15(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyWRHLOIGMMJYGJA-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126850013
tert-butyl 4-(6-pentan-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126849691
tert-butyl 4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 70812514
tert-butyl 4-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]piperazine-1-carboxylate
CID 66747847
tert-butyl 4-(6-methoxypyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 171997599
2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid
CID 169299170
tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate
CID 66748395
tert-butyl 4-[6-(butan-2-ylcarbamoylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 155962552
tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate
CID 168992441
1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 91785161
tert-butyl 4-[5-(1-hydroxypropyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate
CID 102545634
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate (CID 86690166) is tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate is CCc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncn1.
What is the InChIKey of tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is WRHLOIGMMJYGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-12-10-13(17-11-16-12)18-6-8-19(9-7-18)14(20)21-15(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 86690166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).