2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine

C12H21N5O — CID 66331325

IUPAC2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
SMILESCOc1ncnc(N2CCN(CCN)CC2)c1C
InChIInChI=1S/C12H21N5O/c1-10-11(14-9-15-12(10)18-2)17-7-5-16(4-3-13)6-8-17/h9H,3-8,13H2,1-2H3
InChIKeyHCEBCQAZDVZGFI-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.13
Rot. Bonds4

About 2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine

2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine (PubChem CID 66331325) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
PubChem CID66331325
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
SMILESCOc1ncnc(N2CCN(CCN)CC2)c1C
InChIInChI=1S/C12H21N5O/c1-10-11(14-9-15-12(10)18-2)17-7-5-16(4-3-13)6-8-17/h9H,3-8,13H2,1-2H3
InChIKeyHCEBCQAZDVZGFI-UHFFFAOYSA-N
XLogP-0.13
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine (CID 66331325) is 2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine is COc1ncnc(N2CCN(CCN)CC2)c1C.
What is the InChIKey of 2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine?
The InChIKey is HCEBCQAZDVZGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10-11(14-9-15-12(10)18-2)17-7-5-16(4-3-13)6-8-17/h9H,3-8,13H2,1-2H3.
What are the key properties of 2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine?
2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 66331325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).