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

C10H14ClN3O2 — CID 102954771

IUPAC5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
SMILESCC1CCNCC1Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O2/c1-6-2-3-12-4-7(6)16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyQTGBSJWABZSZJJ-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.80
Rot. Bonds2

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

5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one (PubChem CID 102954771) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
PubChem CID102954771
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
SMILESCC1CCNCC1Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O2/c1-6-2-3-12-4-7(6)16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyQTGBSJWABZSZJJ-UHFFFAOYSA-N
XLogP0.80
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954540
5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954541
4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954690
5-bromo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954732
5-chloro-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939636
5-methoxy-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939640
5-methoxy-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 113756936
5-chloro-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586278
5-chloro-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586344
5-methoxy-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586348
5-chloro-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586398
5-methoxy-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586402

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one (CID 102954771) is 5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one is CC1CCNCC1Oc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The InChIKey is QTGBSJWABZSZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-6-2-3-12-4-7(6)16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one has a molecular weight of 243.69 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 102954771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).