1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one

C15H25N5O — CID 18566444

IUPAC1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2nc(C)cc(NCC)n2)CC1
InChIInChI=1S/C15H25N5O/c1-4-6-14(21)19-7-9-20(10-8-19)15-17-12(3)11-13(18-15)16-5-2/h11H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyGFPSDJZRCYPASA-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.67
Rot. Bonds5

About 1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one

1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one (PubChem CID 18566444) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one
PubChem CID18566444
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2nc(C)cc(NCC)n2)CC1
InChIInChI=1S/C15H25N5O/c1-4-6-14(21)19-7-9-20(10-8-19)15-17-12(3)11-13(18-15)16-5-2/h11H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyGFPSDJZRCYPASA-UHFFFAOYSA-N
XLogP1.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one (CID 18566444) is 1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(c2nc(C)cc(NCC)n2)CC1.
What is the InChIKey of 1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one?
The InChIKey is GFPSDJZRCYPASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-6-14(21)19-7-9-20(10-8-19)15-17-12(3)11-13(18-15)16-5-2/h11H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one?
1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one has a molecular weight of 291.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 18566444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).