3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione

C24H28N4O3 — CID 159029669

IUPAC3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione
SMILESCc1nc(N)ccc1CCC(=O)Cn1c(=O)c(CCCc2ccccc2)cn(C)c1=O
InChIInChI=1S/C24H28N4O3/c1-17-19(12-14-22(25)26-17)11-13-21(29)16-28-23(30)20(15-27(2)24(28)31)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,12,14-15H,6,9-11,13,16H2,1-2H3,(H2,25,26)
InChIKeyJUSJWCWNRLCJSH-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.21
Rot. Bonds9

About 3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione

3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione (PubChem CID 159029669) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione
PubChem CID159029669
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione
SMILESCc1nc(N)ccc1CCC(=O)Cn1c(=O)c(CCCc2ccccc2)cn(C)c1=O
InChIInChI=1S/C24H28N4O3/c1-17-19(12-14-22(25)26-17)11-13-21(29)16-28-23(30)20(15-27(2)24(28)31)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,12,14-15H,6,9-11,13,16H2,1-2H3,(H2,25,26)
InChIKeyJUSJWCWNRLCJSH-UHFFFAOYSA-N
XLogP2.21
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-5-chloro-6-phenyl-3-pyrrolidin-1-ylpyrazin-2-one
CID 158520826
6-methyl-5-(2-phenylethyl)pyridin-2-amine
CID 68841631
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide
CID 157431100
2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide
CID 58869621
5-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-one
CID 105093132
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide
CID 10004435
2-[2-(3-phenylpropyl)phenyl]acetic acid
CID 23284627
(1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide
CID 161057845
2-[8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-1-yl]acetamide
CID 16854951
5-phenylpentan-2-one
CID 16701
1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
CID 159279317
1-(3-amino-1-methylpyrazol-4-yl)-5-phenylpentan-1-one
CID 123725902

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione (CID 159029669) is 3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione is Cc1nc(N)ccc1CCC(=O)Cn1c(=O)c(CCCc2ccccc2)cn(C)c1=O.
What is the InChIKey of 3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione?
The InChIKey is JUSJWCWNRLCJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-19(12-14-22(25)26-17)11-13-21(29)16-28-23(30)20(15-27(2)24(28)31)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,12,14-15H,6,9-11,13,16H2,1-2H3,(H2,25,26).
What are the key properties of 3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione?
3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione has a molecular weight of 420.51 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-amino-2-methyl-3-pyridinyl)-2-oxobutyl]-1-methyl-5-(3-phenylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 159029669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).