[(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate

C15H24N4O2 — CID 10870064

IUPAC[(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate
SMILESCCCC(=O)O[C@H](C)c1nccc(N2CCNC[C@H]2C)n1
InChIInChI=1S/C15H24N4O2/c1-4-5-14(20)21-12(3)15-17-7-6-13(18-15)19-9-8-16-10-11(19)2/h6-7,11-12,16H,4-5,8-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyZRDOPNJLQOCQFR-VXGBXAGGSA-N
MW292.38 g/mol
LogP1.68
Rot. Bonds5

About [(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate

[(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate (PubChem CID 10870064) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate.

Molecular Properties

Compound Name[(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate
PubChem CID10870064
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate
SMILESCCCC(=O)O[C@H](C)c1nccc(N2CCNC[C@H]2C)n1
InChIInChI=1S/C15H24N4O2/c1-4-5-14(20)21-12(3)15-17-7-6-13(18-15)19-9-8-16-10-11(19)2/h6-7,11-12,16H,4-5,8-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyZRDOPNJLQOCQFR-VXGBXAGGSA-N
XLogP1.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate?
The IUPAC name of [(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate (CID 10870064) is [(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate.
What is the SMILES notation for [(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate?
The canonical SMILES for [(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate is CCCC(=O)O[C@H](C)c1nccc(N2CCNC[C@H]2C)n1.
What is the InChIKey of [(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate?
The InChIKey is ZRDOPNJLQOCQFR-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-5-14(20)21-12(3)15-17-7-6-13(18-15)19-9-8-16-10-11(19)2/h6-7,11-12,16H,4-5,8-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of [(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate?
[(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate has a molecular weight of 292.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[4-[(2R)-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethyl] butanoate is sourced from PubChem (CID 10870064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).