5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C11H16ClN3O2 — CID 136716211

IUPAC5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1(C)CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C11H16ClN3O2/c1-11(17-2)4-3-5-15(6-11)9-8(12)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H,13,14,16)
InChIKeySEDUHXVKWQQNKR-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.43
Rot. Bonds2

About 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136716211) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136716211
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1(C)CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C11H16ClN3O2/c1-11(17-2)4-3-5-15(6-11)9-8(12)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H,13,14,16)
InChIKeySEDUHXVKWQQNKR-UHFFFAOYSA-N
XLogP1.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696646
5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716209
5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716210
5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716212
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716215
5-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749178
5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749181
5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136792834
5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821996
5-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136979858
4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979860

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136716211) is 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is COC1(C)CCCN(c2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is SEDUHXVKWQQNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-11(17-2)4-3-5-15(6-11)9-8(12)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 257.72 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136716211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).