5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one

C11H15ClN4O2 — CID 136976802

IUPAC5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESO=C(CNc1nc[nH]c(=O)c1Cl)N1CCCCC1
InChIInChI=1S/C11H15ClN4O2/c12-9-10(14-7-15-11(9)18)13-6-8(17)16-4-2-1-3-5-16/h7H,1-6H2,(H2,13,14,15,18)
InChIKeyKIOFBOYLQVKOHK-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.85
Rot. Bonds3

About 5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one

5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136976802) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
PubChem CID136976802
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESO=C(CNc1nc[nH]c(=O)c1Cl)N1CCCCC1
InChIInChI=1S/C11H15ClN4O2/c12-9-10(14-7-15-11(9)18)13-6-8(17)16-4-2-1-3-5-16/h7H,1-6H2,(H2,13,14,15,18)
InChIKeyKIOFBOYLQVKOHK-UHFFFAOYSA-N
XLogP0.85
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582525
5,6-Dichloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582953
5-amino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135786489
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713546
5-chloro-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726426
N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792776
5-chloro-4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805287
5-chloro-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805297
5-chloro-4-[ethyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805306
5-chloro-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805313
5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805321
4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136873262

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one (CID 136976802) is 5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one is O=C(CNc1nc[nH]c(=O)c1Cl)N1CCCCC1.
What is the InChIKey of 5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is KIOFBOYLQVKOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-9-10(14-7-15-11(9)18)13-6-8(17)16-4-2-1-3-5-16/h7H,1-6H2,(H2,13,14,15,18).
What are the key properties of 5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 270.72 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).