[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone

C19H32N6O — CID 125166997

IUPAC[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCCC[C@@H]2CCN2CCN(C)CC2)cn1
InChIInChI=1S/C19H32N6O/c1-3-20-19-21-14-16(15-22-19)18(26)25-8-5-4-6-17(25)7-9-24-12-10-23(2)11-13-24/h14-15,17H,3-13H2,1-2H3,(H,20,21,22)/t17-/m1/s1
InChIKeyCQLSSSQTDGOYPW-QGZVFWFLSA-N
MW360.51 g/mol
LogP1.54
Rot. Bonds6

About [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone

[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 125166997) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
PubChem CID125166997
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCCC[C@@H]2CCN2CCN(C)CC2)cn1
InChIInChI=1S/C19H32N6O/c1-3-20-19-21-14-16(15-22-19)18(26)25-8-5-4-6-17(25)7-9-24-12-10-23(2)11-13-24/h14-15,17H,3-13H2,1-2H3,(H,20,21,22)/t17-/m1/s1
InChIKeyCQLSSSQTDGOYPW-QGZVFWFLSA-N
XLogP1.54
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone (CID 125166997) is [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone is CCNc1ncc(C(=O)N2CCCC[C@@H]2CCN2CCN(C)CC2)cn1.
What is the InChIKey of [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is CQLSSSQTDGOYPW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H32N6O/c1-3-20-19-21-14-16(15-22-19)18(26)25-8-5-4-6-17(25)7-9-24-12-10-23(2)11-13-24/h14-15,17H,3-13H2,1-2H3,(H,20,21,22)/t17-/m1/s1.
What are the key properties of [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 360.51 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 125166997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).