2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone

C16H27N5O2 — CID 56778671

IUPAC2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCOc1cc(C)nc(N2CCN(C(=O)CNC(C)(C)C)CC2)n1
InChIInChI=1S/C16H27N5O2/c1-12-10-13(23-5)19-15(18-12)21-8-6-20(7-9-21)14(22)11-17-16(2,3)4/h10,17H,6-9,11H2,1-5H3
InChIKeyCDMNZPOZASFFEW-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.83
Rot. Bonds4

About 2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone

2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 56778671) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID56778671
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCOc1cc(C)nc(N2CCN(C(=O)CNC(C)(C)C)CC2)n1
InChIInChI=1S/C16H27N5O2/c1-12-10-13(23-5)19-15(18-12)21-8-6-20(7-9-21)14(22)11-17-16(2,3)4/h10,17H,6-9,11H2,1-5H3
InChIKeyCDMNZPOZASFFEW-UHFFFAOYSA-N
XLogP0.83
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone (CID 56778671) is 2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone is COc1cc(C)nc(N2CCN(C(=O)CNC(C)(C)C)CC2)n1.
What is the InChIKey of 2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is CDMNZPOZASFFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-12-10-13(23-5)19-15(18-12)21-8-6-20(7-9-21)14(22)11-17-16(2,3)4/h10,17H,6-9,11H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone?
2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 321.43 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 56778671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).