5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one

C14H13ClN2O2 — CID 114676337

IUPAC5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2ccc3c(c2)CCCC3)c1Cl
InChIInChI=1S/C14H13ClN2O2/c15-12-13(18)16-8-17-14(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,16,17,18)
InChIKeyVVKWHXYHHUYIJW-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.09
Rot. Bonds2

About 5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one

5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one (PubChem CID 114676337) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one
PubChem CID114676337
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2ccc3c(c2)CCCC3)c1Cl
InChIInChI=1S/C14H13ClN2O2/c15-12-13(18)16-8-17-14(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,16,17,18)
InChIKeyVVKWHXYHHUYIJW-UHFFFAOYSA-N
XLogP3.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one (CID 114676337) is 5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(Oc2ccc3c(c2)CCCC3)c1Cl.
What is the InChIKey of 5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one?
The InChIKey is VVKWHXYHHUYIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-13(18)16-8-17-14(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,16,17,18).
What are the key properties of 5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one?
5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one has a molecular weight of 276.72 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).