2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide

C7H9N3O3 — CID 143790213

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide
SMILESCC(C(N)=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-3(6(8)12)4-2-5(11)10-7(13)9-4/h2-3H,1H3,(H2,8,12)(H2,9,10,11,13)
InChIKeyAVAJNFUSYAPXGE-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.35
Rot. Bonds2

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide (PubChem CID 143790213) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide
PubChem CID143790213
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide
SMILESCC(C(N)=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-3(6(8)12)4-2-5(11)10-7(13)9-4/h2-3H,1H3,(H2,8,12)(H2,9,10,11,13)
InChIKeyAVAJNFUSYAPXGE-UHFFFAOYSA-N
XLogP-1.35
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 246001
6-Cyclopropyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 12276310
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-propylacetamide
CID 2149960
6-Tert-butylpyrimidine-2,4-diol
CID 817312
6-n-Propyluracil
CID 96188
6-Ethyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 14842377
6-Allylpyrimidine-2,4(1H,3H)-dione
CID 70629140
6-(2-Aminoethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 117273270
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-methylacetamide
CID 2149959
6-(2-Aminoethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 55254426
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetamide
CID 293809
6-(2-oxopropyl)-1H-pyrimidine-2,4-dione
CID 317616

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide (CID 143790213) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide is CC(C(N)=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide?
The InChIKey is AVAJNFUSYAPXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-3(6(8)12)4-2-5(11)10-7(13)9-4/h2-3H,1H3,(H2,8,12)(H2,9,10,11,13).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide has a molecular weight of 183.17 g/mol, XLogP of -1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)propanamide is sourced from PubChem (CID 143790213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).