6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione

C18H22N2O3 — CID 44597568

IUPAC6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione
SMILESCCc1c(Cc2ccccc2)n(COCC2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H22N2O3/c1-2-15-16(10-13-6-4-3-5-7-13)20(18(22)19-17(15)21)12-23-11-14-8-9-14/h3-7,14H,2,8-12H2,1H3,(H,19,21,22)
InChIKeyNMVAGHXCEDPNFE-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.07
Rot. Bonds7

About 6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione

6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione (PubChem CID 44597568) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione
PubChem CID44597568
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione
SMILESCCc1c(Cc2ccccc2)n(COCC2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H22N2O3/c1-2-15-16(10-13-6-4-3-5-7-13)20(18(22)19-17(15)21)12-23-11-14-8-9-14/h3-7,14H,2,8-12H2,1H3,(H,19,21,22)
InChIKeyNMVAGHXCEDPNFE-UHFFFAOYSA-N
XLogP2.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione
CID 16747813
6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
CID 142656446
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[[(E)-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
CID 6480197
1-(ethoxymethyl)-5-ethyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 24776873
6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
CID 5279588
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(prop-2-enoxymethyl)pyrimidine-2,4-dione
CID 501417
6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 142656493
6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione
CID 6480198
5-ethyl-1-(methoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
CID 509573
5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one
CID 10967713
5-bromo-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 56964462
6-benzyl-1-[[(E)-4-hydroxybut-2-enoxy]methyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 24884730

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione (CID 44597568) is 6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione is CCc1c(Cc2ccccc2)n(COCC2CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione?
The InChIKey is NMVAGHXCEDPNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-15-16(10-13-6-4-3-5-7-13)20(18(22)19-17(15)21)12-23-11-14-8-9-14/h3-7,14H,2,8-12H2,1H3,(H,19,21,22).
What are the key properties of 6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione?
6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione has a molecular weight of 314.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 44597568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).