5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one

C14H16N2O3 — CID 103240978

IUPAC5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one
SMILESCOc1c(Oc2ccc(C(C)C)cc2)nc[nH]c1=O
InChIInChI=1S/C14H16N2O3/c1-9(2)10-4-6-11(7-5-10)19-14-12(18-3)13(17)15-8-16-14/h4-9H,1-3H3,(H,15,16,17)
InChIKeyQQCKZGMJYNEEEX-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.69
Rot. Bonds4

About 5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one

5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one (PubChem CID 103240978) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one
PubChem CID103240978
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one
SMILESCOc1c(Oc2ccc(C(C)C)cc2)nc[nH]c1=O
InChIInChI=1S/C14H16N2O3/c1-9(2)10-4-6-11(7-5-10)19-14-12(18-3)13(17)15-8-16-14/h4-9H,1-3H3,(H,15,16,17)
InChIKeyQQCKZGMJYNEEEX-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

5-methoxy-4-phenoxy-1H-pyrimidin-6-one
CID 103241155
5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
CID 114580986
4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241335
4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 102702936
4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114574355
5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241247
5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240608
4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136979130
4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136974912
4-[4-(aminomethyl)-2-chlorophenoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114585951
6-(4-propan-2-ylphenoxy)-7H-purin-2-amine
CID 114787126
5-iodo-4-(3-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 114675961

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one (CID 103240978) is 5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one is COc1c(Oc2ccc(C(C)C)cc2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is QQCKZGMJYNEEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)10-4-6-11(7-5-10)19-14-12(18-3)13(17)15-8-16-14/h4-9H,1-3H3,(H,15,16,17).
What are the key properties of 5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one?
5-methoxy-4-(4-propan-2-ylphenoxy)-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 5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).