4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one

C21H22N2O2 — CID 174587854

IUPAC4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCCOCc1nc(C)[nH]c(=O)c1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H22N2O2/c1-3-25-14-20-19(21(24)23-15(2)22-20)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3,(H,22,23,24)
InChIKeyDTKUIAHGJJBMJC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.87
Rot. Bonds6

About 4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one

4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 174587854) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID174587854
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCCOCc1nc(C)[nH]c(=O)c1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H22N2O2/c1-3-25-14-20-19(21(24)23-15(2)22-20)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3,(H,22,23,24)
InChIKeyDTKUIAHGJJBMJC-UHFFFAOYSA-N
XLogP3.87
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one (CID 174587854) is 4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one is CCOCc1nc(C)[nH]c(=O)c1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is DTKUIAHGJJBMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-25-14-20-19(21(24)23-15(2)22-20)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3,(H,22,23,24).
What are the key properties of 4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one?
4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 334.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-2-methyl-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 174587854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).