2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one

C11H17ClN4O — CID 123183196

IUPAC2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one
SMILESCCn1c(N2CCC(N)CC2)nc(Cl)cc1=O
InChIInChI=1S/C11H17ClN4O/c1-2-16-10(17)7-9(12)14-11(16)15-5-3-8(13)4-6-15/h7-8H,2-6,13H2,1H3
InChIKeyYVYONIHBVJQOCU-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.84
Rot. Bonds2

About 2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one

2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one (PubChem CID 123183196) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one
PubChem CID123183196
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one
SMILESCCn1c(N2CCC(N)CC2)nc(Cl)cc1=O
InChIInChI=1S/C11H17ClN4O/c1-2-16-10(17)7-9(12)14-11(16)15-5-3-8(13)4-6-15/h7-8H,2-6,13H2,1H3
InChIKeyYVYONIHBVJQOCU-UHFFFAOYSA-N
XLogP0.84
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one (CID 123183196) is 2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one is CCn1c(N2CCC(N)CC2)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one?
The InChIKey is YVYONIHBVJQOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-2-16-10(17)7-9(12)14-11(16)15-5-3-8(13)4-6-15/h7-8H,2-6,13H2,1H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one?
2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one has a molecular weight of 256.74 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one is sourced from PubChem (CID 123183196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).