1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone

C15H23N5O — CID 46974238

IUPAC1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(CCN)nc(C3CC3)n2)CC1
InChIInChI=1S/C15H23N5O/c1-11(21)19-6-8-20(9-7-19)14-10-13(4-5-16)17-15(18-14)12-2-3-12/h10,12H,2-9,16H2,1H3
InChIKeySJKLRRFZLFVSLH-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.52
Rot. Bonds4

About 1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 46974238) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID46974238
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(CCN)nc(C3CC3)n2)CC1
InChIInChI=1S/C15H23N5O/c1-11(21)19-6-8-20(9-7-19)14-10-13(4-5-16)17-15(18-14)12-2-3-12/h10,12H,2-9,16H2,1H3
InChIKeySJKLRRFZLFVSLH-UHFFFAOYSA-N
XLogP0.52
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone (CID 46974238) is 1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(CCN)nc(C3CC3)n2)CC1.
What is the InChIKey of 1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is SJKLRRFZLFVSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11(21)19-6-8-20(9-7-19)14-10-13(4-5-16)17-15(18-14)12-2-3-12/h10,12H,2-9,16H2,1H3.
What are the key properties of 1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 289.38 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 46974238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).