3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide

C13H21N3O3 — CID 11277154

IUPAC3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-3-4-5-7-14-11(17)6-8-16-9-10(2)12(18)15-13(16)19/h9H,3-8H2,1-2H3,(H,14,17)(H,15,18,19)
InChIKeyFVBIYGQEZJINBJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.54
Rot. Bonds7

About 3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide

3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide (PubChem CID 11277154) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide
PubChem CID11277154
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-3-4-5-7-14-11(17)6-8-16-9-10(2)12(18)15-13(16)19/h9H,3-8H2,1-2H3,(H,14,17)(H,15,18,19)
InChIKeyFVBIYGQEZJINBJ-UHFFFAOYSA-N
XLogP0.54
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 101049324
3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide
CID 66423392
3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
CID 100981619
2-methyl-3-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylamino]-N-[4-[(E)-2-[4-[[2-methyl-3-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylamino]propanoyl]amino]phenyl]ethenyl]phenyl]propanamide
CID 167010652
trans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid
CID 127039649
1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 90652303
2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethylsulfanyl acetate
CID 151243454
5-iodo-1-pentylpyrimidine-2,4-dione
CID 79784699
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide
CID 110390014
5-bromo-1-octylpyrimidine-2,4-dione
CID 55237695

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide?
The IUPAC name of 3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide (CID 11277154) is 3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide.
What is the SMILES notation for 3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide?
The canonical SMILES for 3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide is CCCCCNC(=O)CCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide?
The InChIKey is FVBIYGQEZJINBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-4-5-7-14-11(17)6-8-16-9-10(2)12(18)15-13(16)19/h9H,3-8H2,1-2H3,(H,14,17)(H,15,18,19).
What are the key properties of 3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide?
3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide has a molecular weight of 267.33 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide is sourced from PubChem (CID 11277154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).