4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one

C15H18N2O — CID 136955633

IUPAC4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCc1cccc(-c2nc[nH]c(=O)c2C(C)C)c1
InChIInChI=1S/C15H18N2O/c1-4-11-6-5-7-12(8-11)14-13(10(2)3)15(18)17-9-16-14/h5-10H,4H2,1-3H3,(H,16,17,18)
InChIKeyQPLOLRNZIRXQRM-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.12
Rot. Bonds3

About 4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one

4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136955633) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136955633
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCc1cccc(-c2nc[nH]c(=O)c2C(C)C)c1
InChIInChI=1S/C15H18N2O/c1-4-11-6-5-7-12(8-11)14-13(10(2)3)15(18)17-9-16-14/h5-10H,4H2,1-3H3,(H,16,17,18)
InChIKeyQPLOLRNZIRXQRM-UHFFFAOYSA-N
XLogP3.12
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one
CID 136769605
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CID 57202866
6-(3-ethylphenyl)-1H-pyrimidine-4-thione
CID 106519409
5-propan-2-yl-4-(5-propan-2-yloxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136769913
1-ethyl-3-phenylbenzene;propane
CID 145466525
5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one
CID 136770243
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
5-(3-ethylphenyl)-6-propan-2-ylpyridin-2-amine
CID 90322483
4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692138
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
4-[3-(3-ethylphenyl)-1H-indazol-6-yl]phenol
CID 166627727

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 136955633) is 4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one is CCc1cccc(-c2nc[nH]c(=O)c2C(C)C)c1.
What is the InChIKey of 4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is QPLOLRNZIRXQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-4-11-6-5-7-12(8-11)14-13(10(2)3)15(18)17-9-16-14/h5-10H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 242.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).