4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one

C14H16N2O3 — CID 103241209

IUPAC4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(Oc2cc(=O)[nH]c(C(C)C)n2)cc1
InChIInChI=1S/C14H16N2O3/c1-9(2)14-15-12(17)8-13(16-14)19-11-6-4-10(18-3)5-7-11/h4-9H,1-3H3,(H,15,16,17)
InChIKeyIGLRQQZCUYEZNR-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.69
Rot. Bonds4

About 4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one

4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103241209) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103241209
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(Oc2cc(=O)[nH]c(C(C)C)n2)cc1
InChIInChI=1S/C14H16N2O3/c1-9(2)14-15-12(17)8-13(16-14)19-11-6-4-10(18-3)5-7-11/h4-9H,1-3H3,(H,15,16,17)
InChIKeyIGLRQQZCUYEZNR-UHFFFAOYSA-N
XLogP2.69
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114574312
4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114585914
4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103568180
2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid
CID 114585630
4-(3-amino-5-bromophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103589203
4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578866
4-(4-amino-2-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578645
4-(5-amino-2-bromophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103011768
4-(2-amino-4,5-dichlorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 107501039
4-(4-methoxyphenoxy)-1H-pyrimidin-6-one
CID 103241207
4-[4-(aminomethyl)-2,6-dimethylphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114585964
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 103241209) is 4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one is COc1ccc(Oc2cc(=O)[nH]c(C(C)C)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is IGLRQQZCUYEZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)14-15-12(17)8-13(16-14)19-11-6-4-10(18-3)5-7-11/h4-9H,1-3H3,(H,15,16,17).
What are the key properties of 4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 260.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).