1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone

C17H22N6O — CID 110256218

IUPAC1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2nccnc2Nc2nc(C)cc(C)n2)C1
InChIInChI=1S/C17H22N6O/c1-11-9-12(2)21-17(20-11)22-16-15(18-6-7-19-16)14-5-4-8-23(10-14)13(3)24/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,19,20,21,22)
InChIKeyYBNNZEGOVIYRBG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.35
Rot. Bonds3

About 1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone

1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110256218) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID110256218
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2nccnc2Nc2nc(C)cc(C)n2)C1
InChIInChI=1S/C17H22N6O/c1-11-9-12(2)21-17(20-11)22-16-15(18-6-7-19-16)14-5-4-8-23(10-14)13(3)24/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,19,20,21,22)
InChIKeyYBNNZEGOVIYRBG-UHFFFAOYSA-N
XLogP2.35
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone (CID 110256218) is 1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2nccnc2Nc2nc(C)cc(C)n2)C1.
What is the InChIKey of 1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is YBNNZEGOVIYRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11-9-12(2)21-17(20-11)22-16-15(18-6-7-19-16)14-5-4-8-23(10-14)13(3)24/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,19,20,21,22).
What are the key properties of 1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110256218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).