(2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide

C12H17N7O4 — CID 118970102

IUPAC(2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide
SMILESCc1noc(Cn2c(=O)c(N[C@@H](C)C(N)=O)c(N)n(C)c2=O)n1
InChIInChI=1S/C12H17N7O4/c1-5(10(14)20)15-8-9(13)18(3)12(22)19(11(8)21)4-7-16-6(2)17-23-7/h5,15H,4,13H2,1-3H3,(H2,14,20)/t5-/m0/s1
InChIKeyGFGJHPJBEYJOQA-YFKPBYRVSA-N
MW323.31 g/mol
LogP-1.85
Rot. Bonds5

About (2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide

(2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide (PubChem CID 118970102) has the molecular formula C12H17N7O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is (2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide
PubChem CID118970102
Molecular FormulaC12H17N7O4
Molecular Weight323.31 g/mol
Exact Mass323.13
IUPAC Name(2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide
SMILESCc1noc(Cn2c(=O)c(N[C@@H](C)C(N)=O)c(N)n(C)c2=O)n1
InChIInChI=1S/C12H17N7O4/c1-5(10(14)20)15-8-9(13)18(3)12(22)19(11(8)21)4-7-16-6(2)17-23-7/h5,15H,4,13H2,1-3H3,(H2,14,20)/t5-/m0/s1
InChIKeyGFGJHPJBEYJOQA-YFKPBYRVSA-N
XLogP-1.85
TPSA164.06 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propan-2-ylacetamide
CID 45805664
N-[4-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
CID 45867792
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide
CID 125445219
3-(2-{ethyl[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino}ethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 132418493
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N'-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]ethyl}urea
CID 137094519
1-[[3-(2-Aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione
CID 63556997
5-Fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 112600152
3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)propanamide
CID 49669675
3-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-9H-purine-2,6,8-trione
CID 70395076
3,3,7-Trimethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]purine-3,7-diium-2,6-dione
CID 88652195
1,3-Dimethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-8,9-dihydropurine-2,6-dione
CID 90906657
5,6-Diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 118969967

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide?
The IUPAC name of (2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide (CID 118970102) is (2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide?
The canonical SMILES for (2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide is Cc1noc(Cn2c(=O)c(N[C@@H](C)C(N)=O)c(N)n(C)c2=O)n1.
What is the InChIKey of (2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide?
The InChIKey is GFGJHPJBEYJOQA-YFKPBYRVSA-N. The full InChI is InChI=1S/C12H17N7O4/c1-5(10(14)20)15-8-9(13)18(3)12(22)19(11(8)21)4-7-16-6(2)17-23-7/h5,15H,4,13H2,1-3H3,(H2,14,20)/t5-/m0/s1.
What are the key properties of (2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide?
(2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide has a molecular weight of 323.31 g/mol, XLogP of -1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-amino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidin-5-yl]amino]propanamide is sourced from PubChem (CID 118970102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).