tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate

C16H26N4O3 — CID 66748395

IUPACtert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate
SMILESCC(C)Oc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C16H26N4O3/c1-12(2)22-14-10-13(17-11-18-14)19-6-8-20(9-7-19)15(21)23-16(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyBZDKCTXGMAMAQV-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.32
Rot. Bonds3

About tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 66748395) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID66748395
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Nametert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate
SMILESCC(C)Oc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C16H26N4O3/c1-12(2)22-14-10-13(17-11-18-14)19-6-8-20(9-7-19)15(21)23-16(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyBZDKCTXGMAMAQV-UHFFFAOYSA-N
XLogP2.32
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(6-propan-2-yloxypyrimidin-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-(6-methoxypyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 171997599
tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126850013
tert-butyl 4-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]piperazine-1-carboxylate
CID 66747847
tert-butyl 4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 70812514
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
tert-butyl 4-(6-pentan-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126849691
tert-butyl 4-[6-(butan-2-ylcarbamoylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 155962552
4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 66332415
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
CID 155226204
tert-butyl 4-[1-(6-phenylmethoxypyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 59178855
tert-butyl 4-[5-(1-hydroxypropyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate
CID 102545634

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate (CID 66748395) is tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate is CC(C)Oc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncn1.
What is the InChIKey of tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is BZDKCTXGMAMAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12(2)22-14-10-13(17-11-18-14)19-6-8-20(9-7-19)15(21)23-16(3,4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 66748395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).