5-chloro-4-phenoxy-1H-pyrimidin-6-one

C10H7ClN2O2 — CID 114676015

IUPAC5-chloro-4-phenoxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2ccccc2)c1Cl
InChIInChI=1S/C10H7ClN2O2/c11-8-9(14)12-6-13-10(8)15-7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKeyVIRTXDQQJDVFGR-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.22
Rot. Bonds2

About 5-chloro-4-phenoxy-1H-pyrimidin-6-one

5-chloro-4-phenoxy-1H-pyrimidin-6-one (PubChem CID 114676015) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 5-chloro-4-phenoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-phenoxy-1H-pyrimidin-6-one
PubChem CID114676015
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name5-chloro-4-phenoxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2ccccc2)c1Cl
InChIInChI=1S/C10H7ClN2O2/c11-8-9(14)12-6-13-10(8)15-7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
InChIKeyVIRTXDQQJDVFGR-UHFFFAOYSA-N
XLogP2.22
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
CID 114580990
5-methoxy-4-phenoxy-1H-pyrimidin-6-one
CID 103241155
5-chloro-4-(4-chloronaphthalen-1-yl)oxy-1H-pyrimidin-6-one
CID 114676250
5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one
CID 114676420
5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one
CID 114676337
5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107170148
5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one
CID 114676292
5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one
CID 114676180
5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676044
5-chloro-4-(2-chloro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 114676397
5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-2-nitrobenzoic acid
CID 107077957
4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 146290985

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-phenoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-phenoxy-1H-pyrimidin-6-one (CID 114676015) is 5-chloro-4-phenoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-phenoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-phenoxy-1H-pyrimidin-6-one is O=c1[nH]cnc(Oc2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-4-phenoxy-1H-pyrimidin-6-one?
The InChIKey is VIRTXDQQJDVFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-8-9(14)12-6-13-10(8)15-7-4-2-1-3-5-7/h1-6H,(H,12,13,14).
What are the key properties of 5-chloro-4-phenoxy-1H-pyrimidin-6-one?
5-chloro-4-phenoxy-1H-pyrimidin-6-one has a molecular weight of 222.63 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-phenoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114676015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).