N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide

C8H11N3O3 — CID 91181922

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-4(2)6(12)10-5-3-9-8(14)11-7(5)13/h3-4H,1-2H3,(H,10,12)(H2,9,11,13,14)
InChIKeyVOLAXIKIHDGMKA-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.34
Rot. Bonds2

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide (PubChem CID 91181922) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide
PubChem CID91181922
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-4(2)6(12)10-5-3-9-8(14)11-7(5)13/h3-4H,1-2H3,(H,10,12)(H2,9,11,13,14)
InChIKeyVOLAXIKIHDGMKA-UHFFFAOYSA-N
XLogP-0.34
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-Amino-5-(butylamino)-1-(2-methylpropyl)-2,4(1H,3H)-pyrimidinedione
CID 3813450
6-Amino-1-butyl-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2384333
5-(Dimethylamino)uracil
CID 255552
6-Amino-1-(2-methylpropyl)-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2366802
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide
CID 2110810
2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide
CID 110698284
N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 348854
N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbutanamide
CID 2228116
2-amino-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 42600450
N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-ethylbutanamide
CID 3159468
N-(2-Aminoethyl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 4264356
N-(2,4-dioxo(1,3-dihydropyrimidin-5-yl))-2,2-dimethylpropanamide
CID 728363

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide (CID 91181922) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide is CC(C)C(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide?
The InChIKey is VOLAXIKIHDGMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4(2)6(12)10-5-3-9-8(14)11-7(5)13/h3-4H,1-2H3,(H,10,12)(H2,9,11,13,14).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide has a molecular weight of 197.19 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanamide is sourced from PubChem (CID 91181922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).