6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

C21H23N3O3 — CID 70690256

IUPAC6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCN(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H23N3O3/c1-23(2)19-18(13-16-9-5-3-6-10-16)24(21(26)22-20(19)25)15-27-14-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,22,25,26)
InChIKeyFUCYSTKEKHXIGJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.37
Rot. Bonds7

About 6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 70690256) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID70690256
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCN(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H23N3O3/c1-23(2)19-18(13-16-9-5-3-6-10-16)24(21(26)22-20(19)25)15-27-14-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,22,25,26)
InChIKeyFUCYSTKEKHXIGJ-UHFFFAOYSA-N
XLogP2.37
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 70690256) is 6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is CN(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is FUCYSTKEKHXIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-23(2)19-18(13-16-9-5-3-6-10-16)24(21(26)22-20(19)25)15-27-14-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,22,25,26).
What are the key properties of 6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 365.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 70690256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).