4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide

C16H19N3O3 — CID 11709226

IUPAC4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide
SMILESCc1cn(Cc2ccc(CCCC(N)=O)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H19N3O3/c1-11-9-19(16(22)18-15(11)21)10-13-7-5-12(6-8-13)3-2-4-14(17)20/h5-9H,2-4,10H2,1H3,(H2,17,20)(H,18,21,22)
InChIKeyAWQCKQBMUGFFOR-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.70
Rot. Bonds6

About 4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide

4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide (PubChem CID 11709226) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide.

Molecular Properties

Compound Name4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide
PubChem CID11709226
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide
SMILESCc1cn(Cc2ccc(CCCC(N)=O)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H19N3O3/c1-11-9-19(16(22)18-15(11)21)10-13-7-5-12(6-8-13)3-2-4-14(17)20/h5-9H,2-4,10H2,1H3,(H2,17,20)(H,18,21,22)
InChIKeyAWQCKQBMUGFFOR-UHFFFAOYSA-N
XLogP0.70
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Mavacamten
CID 117761397
5-Benzyluracil
CID 236212
1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
1-Benzyluracil
CID 237962
N-benzoyl-1-piperidinecarboxamide
CID 974065
5-Methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione
CID 2815029
5-Phenyluracil
CID 287110
6-Amino-1-benzyluracil
CID 250746
6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 146025749
6-Benzyl-1-butyl-5-ethyluracil
CID 460917
N-(benzhydrylcarbamoyl)pentanamide
CID 1916664
5-acetyl-1-benzyl-2,4(1H,3H)-pyrimidinedione
CID 3334243

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide?
The IUPAC name of 4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide (CID 11709226) is 4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide.
What is the SMILES notation for 4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide?
The canonical SMILES for 4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide is Cc1cn(Cc2ccc(CCCC(N)=O)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide?
The InChIKey is AWQCKQBMUGFFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-9-19(16(22)18-15(11)21)10-13-7-5-12(6-8-13)3-2-4-14(17)20/h5-9H,2-4,10H2,1H3,(H2,17,20)(H,18,21,22).
What are the key properties of 4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide?
4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide has a molecular weight of 301.35 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]butanamide is sourced from PubChem (CID 11709226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).