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

C10H14ClN3O2 — CID 114676283

IUPAC5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
SMILESCN1CCC(Oc2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C10H14ClN3O2/c1-14-4-2-7(3-5-14)16-10-8(11)9(15)12-6-13-10/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyOULCAZNYQFZMSI-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.90
Rot. Bonds2

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

5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one (PubChem CID 114676283) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
PubChem CID114676283
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
SMILESCN1CCC(Oc2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C10H14ClN3O2/c1-14-4-2-7(3-5-14)16-10-8(11)9(15)12-6-13-10/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyOULCAZNYQFZMSI-UHFFFAOYSA-N
XLogP0.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one
CID 90740852
5-methyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 90993345
5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635388
4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241487
5-chloro-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939636
5-chloro-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113616066
5-chloro-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586278
5-chloro-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586398
5-chloro-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
CID 114676275
5-iodo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 114676284
5-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 114676285
5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749181

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one (CID 114676283) is 5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one is CN1CCC(Oc2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The InChIKey is OULCAZNYQFZMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-14-4-2-7(3-5-14)16-10-8(11)9(15)12-6-13-10/h6-7H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one has a molecular weight of 243.69 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114676283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).