2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one

C17H20N2O2 — CID 136770122

IUPAC2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
SMILESCCCOc1ccccc1-c1nc(C2CC2)[nH]c(=O)c1C
InChIInChI=1S/C17H20N2O2/c1-3-10-21-14-7-5-4-6-13(14)15-11(2)17(20)19-16(18-15)12-8-9-12/h4-7,12H,3,8-10H2,1-2H3,(H,18,19,20)
InChIKeyHTMLZUUEKHAEKM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.41
Rot. Bonds5

About 2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one

2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 136770122) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
PubChem CID136770122
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
SMILESCCCOc1ccccc1-c1nc(C2CC2)[nH]c(=O)c1C
InChIInChI=1S/C17H20N2O2/c1-3-10-21-14-7-5-4-6-13(14)15-11(2)17(20)19-16(18-15)12-8-9-12/h4-7,12H,3,8-10H2,1-2H3,(H,18,19,20)
InChIKeyHTMLZUUEKHAEKM-UHFFFAOYSA-N
XLogP3.41
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-[2-(2-methoxyethoxy)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136770105
2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one
CID 136692612
2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692866
2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136691781
4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770175
2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692688
2-(2-propoxyphenyl)-3H-pteridin-4-one
CID 135670793
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine
CID 104663142
3-(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)benzonitrile
CID 136691905
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
butyl 2-[(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]acetate
CID 67094429

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one (CID 136770122) is 2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one is CCCOc1ccccc1-c1nc(C2CC2)[nH]c(=O)c1C.
What is the InChIKey of 2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is HTMLZUUEKHAEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-10-21-14-7-5-4-6-13(14)15-11(2)17(20)19-16(18-15)12-8-9-12/h4-7,12H,3,8-10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one?
2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 284.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136770122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).