[2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone

C16H27N5O2 — CID 72846032

IUPAC[2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCN(CCCCOC)CC2)cn1
InChIInChI=1S/C16H27N5O2/c1-3-17-16-18-12-14(13-19-16)15(22)21-9-7-20(8-10-21)6-4-5-11-23-2/h12-13H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyGLZAHORMIJNZGC-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.09
Rot. Bonds8

About [2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone

[2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone (PubChem CID 72846032) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is [2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone
PubChem CID72846032
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name[2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCN(CCCCOC)CC2)cn1
InChIInChI=1S/C16H27N5O2/c1-3-17-16-18-12-14(13-19-16)15(22)21-9-7-20(8-10-21)6-4-5-11-23-2/h12-13H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyGLZAHORMIJNZGC-UHFFFAOYSA-N
XLogP1.09
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone (CID 72846032) is [2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone is CCNc1ncc(C(=O)N2CCN(CCCCOC)CC2)cn1.
What is the InChIKey of [2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone?
The InChIKey is GLZAHORMIJNZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-3-17-16-18-12-14(13-19-16)15(22)21-9-7-20(8-10-21)6-4-5-11-23-2/h12-13H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of [2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone?
[2-(ethylamino)pyrimidin-5-yl]-[4-(4-methoxybutyl)piperazin-1-yl]methanone has a molecular weight of 321.43 g/mol, XLogP of 1.09, 8 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]-[4-(4-methoxybutyl)piperazin-1-yl]methanone is sourced from PubChem (CID 72846032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).