1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

C17H27N5O2 — CID 75369968

IUPAC1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(C)c1nccc(N2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-14(2)17-18-4-3-15(19-17)21-7-5-20(6-8-21)13-16(23)22-9-11-24-12-10-22/h3-4,14H,5-13H2,1-2H3
InChIKeyQSOQZLQGPKJTNF-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.58
Rot. Bonds4

About 1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 75369968) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID75369968
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(C)c1nccc(N2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-14(2)17-18-4-3-15(19-17)21-7-5-20(6-8-21)13-16(23)22-9-11-24-12-10-22/h3-4,14H,5-13H2,1-2H3
InChIKeyQSOQZLQGPKJTNF-UHFFFAOYSA-N
XLogP0.58
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 75369968) is 1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is CC(C)c1nccc(N2CCN(CC(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is QSOQZLQGPKJTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-14(2)17-18-4-3-15(19-17)21-7-5-20(6-8-21)13-16(23)22-9-11-24-12-10-22/h3-4,14H,5-13H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 333.44 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 75369968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).