5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

C23H27N3O3 — CID 56964463

IUPAC5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1cc(C)cc(Cc2c(N(C)C)c(=O)[nH]c(=O)n2COCc2ccccc2)c1
InChIInChI=1S/C23H27N3O3/c1-16-10-17(2)12-19(11-16)13-20-21(25(3)4)22(27)24-23(28)26(20)15-29-14-18-8-6-5-7-9-18/h5-12H,13-15H2,1-4H3,(H,24,27,28)
InChIKeyHGABZLMUWONTSR-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.98
Rot. Bonds7

About 5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 56964463) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID56964463
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1cc(C)cc(Cc2c(N(C)C)c(=O)[nH]c(=O)n2COCc2ccccc2)c1
InChIInChI=1S/C23H27N3O3/c1-16-10-17(2)12-19(11-16)13-20-21(25(3)4)22(27)24-23(28)26(20)15-29-14-18-8-6-5-7-9-18/h5-12H,13-15H2,1-4H3,(H,24,27,28)
InChIKeyHGABZLMUWONTSR-UHFFFAOYSA-N
XLogP2.98
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 56964462
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[[(E)-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
CID 6480197
6-[(3,5-dimethylphenyl)methyl]-1-[[(E)-3-phenylprop-2-enoxy]methyl]-5-propylpyrimidine-2,4-dione
CID 6480198
5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 127047090
(Z)-4-[3-[[4-[[6-[(3,5-dimethylphenyl)methyl]-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]methoxymethyl]phenyl]methyl]phenyl]-4-hydroxy-2-oxobut-3-enoic acid
CID 46906299
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(prop-2-enoxymethyl)pyrimidine-2,4-dione
CID 501417
1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione
CID 16747813
6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione
CID 25199123
8-methyl-1-(phenylmethoxymethyl)-5H-pyrimido[4,5-b][1,4]benzothiazine-2,4-dione
CID 506485
6-[(3,5-dimethylphenyl)methyl]-1-(3-phenylprop-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 54541334
6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 141308336
6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 172877298

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 56964463) is 5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is Cc1cc(C)cc(Cc2c(N(C)C)c(=O)[nH]c(=O)n2COCc2ccccc2)c1.
What is the InChIKey of 5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is HGABZLMUWONTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-10-17(2)12-19(11-16)13-20-21(25(3)4)22(27)24-23(28)26(20)15-29-14-18-8-6-5-7-9-18/h5-12H,13-15H2,1-4H3,(H,24,27,28).
What are the key properties of 5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 393.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 56964463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).