4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one

C14H16N2O2 — CID 136691872

IUPAC4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1nc[nH]c(=O)c1C(C)C
InChIInChI=1S/C14H16N2O2/c1-9(2)12-13(15-8-16-14(12)17)10-6-4-5-7-11(10)18-3/h4-9H,1-3H3,(H,15,16,17)
InChIKeyHIGFGOIUBWKRRW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.57
Rot. Bonds3

About 4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one

4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136691872) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136691872
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1nc[nH]c(=O)c1C(C)C
InChIInChI=1S/C14H16N2O2/c1-9(2)12-13(15-8-16-14(12)17)10-6-4-5-7-11(10)18-3/h4-9H,1-3H3,(H,15,16,17)
InChIKeyHIGFGOIUBWKRRW-UHFFFAOYSA-N
XLogP2.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136691870
[4-(2-methoxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82282609
2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 82285156
5-methoxy-3H-quinazolin-4-one;hydrochloride
CID 136504101
4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136955594
4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692382
4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136955633
5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691786
5-bromo-4-(2-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 114676052
4-[2-(2-methoxyethoxy)phenyl]-5-propyl-1H-pyrimidin-6-one
CID 136770102
2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 135480627
5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one
CID 136769605

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 136691872) is 4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one is COc1ccccc1-c1nc[nH]c(=O)c1C(C)C.
What is the InChIKey of 4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is HIGFGOIUBWKRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(2)12-13(15-8-16-14(12)17)10-6-4-5-7-11(10)18-3/h4-9H,1-3H3,(H,15,16,17).
What are the key properties of 4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 244.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136691872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).