3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide

C13H19N3O3 — CID 97349743

IUPAC3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide
SMILESCc1cc(NC(=O)CC[C@H]2CC[C@@H](C)O2)nc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-8-7-11(16-13(18)14-8)15-12(17)6-5-10-4-3-9(2)19-10/h7,9-10H,3-6H2,1-2H3,(H2,14,15,16,17,18)/t9-,10-/m1/s1
InChIKeyJWVFPFZKCVYRGG-NXEZZACHSA-N
MW265.31 g/mol
LogP1.36
Rot. Bonds4

About 3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide

3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide (PubChem CID 97349743) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide
PubChem CID97349743
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide
SMILESCc1cc(NC(=O)CC[C@H]2CC[C@@H](C)O2)nc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-8-7-11(16-13(18)14-8)15-12(17)6-5-10-4-3-9(2)19-10/h7,9-10H,3-6H2,1-2H3,(H2,14,15,16,17,18)/t9-,10-/m1/s1
InChIKeyJWVFPFZKCVYRGG-NXEZZACHSA-N
XLogP1.36
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide?
The IUPAC name of 3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide (CID 97349743) is 3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide.
What is the SMILES notation for 3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide?
The canonical SMILES for 3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide is Cc1cc(NC(=O)CC[C@H]2CC[C@@H](C)O2)nc(=O)[nH]1.
What is the InChIKey of 3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide?
The InChIKey is JWVFPFZKCVYRGG-NXEZZACHSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-7-11(16-13(18)14-8)15-12(17)6-5-10-4-3-9(2)19-10/h7,9-10H,3-6H2,1-2H3,(H2,14,15,16,17,18)/t9-,10-/m1/s1.
What are the key properties of 3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide?
3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide has a molecular weight of 265.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5R)-5-methyloxolan-2-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide is sourced from PubChem (CID 97349743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).