6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione

C22H21N3O4 — CID 142658886

IUPAC6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione
SMILESCc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2C(=O)c2ccncc2)c1
InChIInChI=1S/C22H21N3O4/c1-12(2)17-18(19(26)16-10-13(3)9-14(4)11-16)25(22(29)24-20(17)27)21(28)15-5-7-23-8-6-15/h5-12H,1-4H3,(H,24,27,29)
InChIKeyLCBJXPQFTKNARI-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.59
Rot. Bonds4

About 6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione

6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione (PubChem CID 142658886) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione
PubChem CID142658886
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione
SMILESCc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2C(=O)c2ccncc2)c1
InChIInChI=1S/C22H21N3O4/c1-12(2)17-18(19(26)16-10-13(3)9-14(4)11-16)25(22(29)24-20(17)27)21(28)15-5-7-23-8-6-15/h5-12H,1-4H3,(H,24,27,29)
InChIKeyLCBJXPQFTKNARI-UHFFFAOYSA-N
XLogP2.59
TPSA101.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 58203491
3-[6-(3,5-dimethylbenzoyl)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]propanenitrile
CID 58203464
6-(3,5-dimethylbenzoyl)-1-(oxiran-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 15957811
1-(cyclopropylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 70207787
6-(3,5-dimethylbenzoyl)-1-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 15957772
6-(3,5-dimethylbenzoyl)-1-[(9,10-dioxoanthracen-2-yl)methyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 15957784
6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-(methylamino)-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 59184662
1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 59184773
3-[3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-methylbenzonitrile
CID 59686844
1-[(E)-but-2-enyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-[(3,5-dimethylphenyl)-fluoromethyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 161230792
3-[2,6-dioxo-5-propan-2-yl-3-[(2,3,6-trifluoro-4-pyridinyl)methyl]pyrimidine-4-carbonyl]-5-methylbenzonitrile
CID 59184781
2-[1-[[6-(3-ethynyl-5-methylbenzoyl)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]methyl]cyclopropyl]acetic acid
CID 58203423

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione?
The IUPAC name of 6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione (CID 142658886) is 6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione is Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2C(=O)c2ccncc2)c1.
What is the InChIKey of 6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione?
The InChIKey is LCBJXPQFTKNARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-12(2)17-18(19(26)16-10-13(3)9-14(4)11-16)25(22(29)24-20(17)27)21(28)15-5-7-23-8-6-15/h5-12H,1-4H3,(H,24,27,29).
What are the key properties of 6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione?
6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione has a molecular weight of 391.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylbenzoyl)-5-propan-2-yl-1-(pyridine-4-carbonyl)pyrimidine-2,4-dione is sourced from PubChem (CID 142658886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).