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

C8H11N3O4 — CID 112599367

IUPAC3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide
SMILESCc1c(O)n(CCC(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O4/c1-4-6(13)10-8(15)11(7(4)14)3-2-5(9)12/h14H,2-3H2,1H3,(H2,9,12)(H,10,13,15)
InChIKeyJFJVEPUSNQPKKC-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.57
Rot. Bonds3

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

3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 112599367) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID112599367
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide
SMILESCc1c(O)n(CCC(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O4/c1-4-6(13)10-8(15)11(7(4)14)3-2-5(9)12/h14H,2-3H2,1H3,(H2,9,12)(H,10,13,15)
InChIKeyJFJVEPUSNQPKKC-UHFFFAOYSA-N
XLogP-1.57
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide
CID 112599925
6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
CID 112599165
3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601609
1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598583
3-[5-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946840
6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 112601451
1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600003
3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946839
6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione
CID 115948134
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide
CID 79874209

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide (CID 112599367) is 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide is Cc1c(O)n(CCC(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is JFJVEPUSNQPKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-4-6(13)10-8(15)11(7(4)14)3-2-5(9)12/h14H,2-3H2,1H3,(H2,9,12)(H,10,13,15).
What are the key properties of 3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide?
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 213.19 g/mol, XLogP of -1.57, 3 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)propanamide is sourced from PubChem (CID 112599367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).