3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide

C11H17N3O4 — CID 112599925

IUPAC3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-3-5-12-8(15)4-6-14-10(17)7(2)9(16)13-11(14)18/h17H,3-6H2,1-2H3,(H,12,15)(H,13,16,18)
InChIKeyFJFQDZUGYBOJMA-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.53
Rot. Bonds5

About 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide

3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide (PubChem CID 112599925) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide
PubChem CID112599925
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-3-5-12-8(15)4-6-14-10(17)7(2)9(16)13-11(14)18/h17H,3-6H2,1-2H3,(H,12,15)(H,13,16,18)
InChIKeyFJFQDZUGYBOJMA-UHFFFAOYSA-N
XLogP-0.53
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599367
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601609
6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 112601451
1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598583
6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
CID 112599165
N-[2-(diethylamino)ethyl]-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide
CID 84578181
N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide
CID 66522821
3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide
CID 11277154
N-[3-(diethylamino)propyl]-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide
CID 110476311
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600003

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide?
The IUPAC name of 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide (CID 112599925) is 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide?
The canonical SMILES for 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide is CCCNC(=O)CCn1c(O)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide?
The InChIKey is FJFQDZUGYBOJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-5-12-8(15)4-6-14-10(17)7(2)9(16)13-11(14)18/h17H,3-6H2,1-2H3,(H,12,15)(H,13,16,18).
What are the key properties of 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide?
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide has a molecular weight of 255.27 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide is sourced from PubChem (CID 112599925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).