1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone

C17H27N5O2 — CID 109326695

IUPAC1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCCCCN(C)c1nc(C)cc(C(=O)N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-5-6-7-20(4)17-18-13(2)12-15(19-17)16(24)22-10-8-21(9-11-22)14(3)23/h12H,5-11H2,1-4H3
InChIKeyFEAHOLZUJXTBTO-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.33
Rot. Bonds5

About 1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109326695) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID109326695
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCCCCN(C)c1nc(C)cc(C(=O)N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-5-6-7-20(4)17-18-13(2)12-15(19-17)16(24)22-10-8-21(9-11-22)14(3)23/h12H,5-11H2,1-4H3
InChIKeyFEAHOLZUJXTBTO-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone (CID 109326695) is 1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone is CCCCN(C)c1nc(C)cc(C(=O)N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is FEAHOLZUJXTBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-5-6-7-20(4)17-18-13(2)12-15(19-17)16(24)22-10-8-21(9-11-22)14(3)23/h12H,5-11H2,1-4H3.
What are the key properties of 1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 333.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109326695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).