1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone

C13H19ClN4O — CID 20692615

IUPAC1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCCc1ncnc(NC2CCN(C(C)=O)CC2)c1Cl
InChIInChI=1S/C13H19ClN4O/c1-3-11-12(14)13(16-8-15-11)17-10-4-6-18(7-5-10)9(2)19/h8,10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyCCIHQGIZPZKRAW-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.12
Rot. Bonds3

About 1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone

1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone (PubChem CID 20692615) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
PubChem CID20692615
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCCc1ncnc(NC2CCN(C(C)=O)CC2)c1Cl
InChIInChI=1S/C13H19ClN4O/c1-3-11-12(14)13(16-8-15-11)17-10-4-6-18(7-5-10)9(2)19/h8,10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyCCIHQGIZPZKRAW-UHFFFAOYSA-N
XLogP2.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103270043
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CID 103867465
CID 103867465
CID 103867485
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CID 103879744
CID 103879744
CID 103879751
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CID 103879769
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CID 103879777
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CID 103879798
CID 103879798

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone (CID 20692615) is 1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone is CCc1ncnc(NC2CCN(C(C)=O)CC2)c1Cl.
What is the InChIKey of 1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is CCIHQGIZPZKRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-3-11-12(14)13(16-8-15-11)17-10-4-6-18(7-5-10)9(2)19/h8,10H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 282.77 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 20692615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).