N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C13H19N3O5 — CID 91786516

IUPACN-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)Cc1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C13H19N3O5/c1-16-12(18)8(6-14-13(16)19)5-11(17)15-9-3-4-21-7-10(9)20-2/h6,9-10H,3-5,7H2,1-2H3,(H,14,19)(H,15,17)/t9-,10-/m1/s1
InChIKeyRVXHTZATBHPNDP-NXEZZACHSA-N
MW297.31 g/mol
LogP-1.46
Rot. Bonds4

About N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 91786516) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID91786516
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC NameN-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)Cc1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C13H19N3O5/c1-16-12(18)8(6-14-13(16)19)5-11(17)15-9-3-4-21-7-10(9)20-2/h6,9-10H,3-5,7H2,1-2H3,(H,14,19)(H,15,17)/t9-,10-/m1/s1
InChIKeyRVXHTZATBHPNDP-NXEZZACHSA-N
XLogP-1.46
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 91786516) is N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is CO[C@@H]1COCC[C@H]1NC(=O)Cc1c[nH]c(=O)n(C)c1=O.
What is the InChIKey of N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is RVXHTZATBHPNDP-NXEZZACHSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-16-12(18)8(6-14-13(16)19)5-11(17)15-9-3-4-21-7-10(9)20-2/h6,9-10H,3-5,7H2,1-2H3,(H,14,19)(H,15,17)/t9-,10-/m1/s1.
What are the key properties of N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 297.31 g/mol, XLogP of -1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91786516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).