tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate

C15H24N4O2 — CID 115580851

IUPACtert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate
SMILESCC(C)(C)OC(=O)CCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-13(20)5-8-18-9-11-19(12-10-18)14-16-6-4-7-17-14/h4,6-7H,5,8-12H2,1-3H3
InChIKeyYTTGTBSRFJBJTJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.33
Rot. Bonds4

About tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate

tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate (PubChem CID 115580851) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate
PubChem CID115580851
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate
SMILESCC(C)(C)OC(=O)CCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-13(20)5-8-18-9-11-19(12-10-18)14-16-6-4-7-17-14/h4,6-7H,5,8-12H2,1-3H3
InChIKeyYTTGTBSRFJBJTJ-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 164715475
3-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110854951
lithium 5-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]piperazin-1-yl]pyrazine-2-carboxylate
CID 153347785
tert-butyl 2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]acetate;hydroiodide
CID 119146782
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
ethyl 2-[4-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 146223686
N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030534
methyl 3-[4-(5-iodopyrimidin-2-yl)piperazin-1-yl]propanoate
CID 104843535
tert-butyl N-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 51217256
2-[4-(carboxymethyl)-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 69321480
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
tert-butyl 3-[2-[2-[2-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoate
CID 176892291

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate?
The IUPAC name of tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate (CID 115580851) is tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate.
What is the SMILES notation for tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate?
The canonical SMILES for tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate is CC(C)(C)OC(=O)CCN1CCN(c2ncccn2)CC1.
What is the InChIKey of tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate?
The InChIKey is YTTGTBSRFJBJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)21-13(20)5-8-18-9-11-19(12-10-18)14-16-6-4-7-17-14/h4,6-7H,5,8-12H2,1-3H3.
What are the key properties of tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate?
tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate has a molecular weight of 292.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate is sourced from PubChem (CID 115580851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).