5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C16H21N3O3 — CID 3623956

IUPAC5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCCN(CC)C(c1ccc(C)cc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H21N3O3/c1-4-19(5-2)13(11-8-6-10(3)7-9-11)12-14(20)17-16(22)18-15(12)21/h6-9,13H,4-5H2,1-3H3,(H3,17,18,20,21,22)
InChIKeyJGZFAJUCYFOMRS-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.51
Rot. Bonds5

About 5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 3623956) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID3623956
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCCN(CC)C(c1ccc(C)cc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H21N3O3/c1-4-19(5-2)13(11-8-6-10(3)7-9-11)12-14(20)17-16(22)18-15(12)21/h6-9,13H,4-5H2,1-3H3,(H3,17,18,20,21,22)
InChIKeyJGZFAJUCYFOMRS-UHFFFAOYSA-N
XLogP1.51
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 3623956) is 5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is CCN(CC)C(c1ccc(C)cc1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is JGZFAJUCYFOMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-19(5-2)13(11-8-6-10(3)7-9-11)12-14(20)17-16(22)18-15(12)21/h6-9,13H,4-5H2,1-3H3,(H3,17,18,20,21,22).
What are the key properties of 5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 303.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3623956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).