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

C13H19N3O4 — CID 34750208

IUPAC3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C13H19N3O4/c1-8-10(12(18)16-13(19)15-8)4-5-11(17)14-7-9-3-2-6-20-9/h9H,2-7H2,1H3,(H,14,17)(H2,15,16,18,19)/t9-/m1/s1
InChIKeyLCHWMZFDQZBUDX-SECBINFHSA-N
MW281.31 g/mol
LogP-0.40
Rot. Bonds5

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

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 34750208) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID34750208
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C13H19N3O4/c1-8-10(12(18)16-13(19)15-8)4-5-11(17)14-7-9-3-2-6-20-9/h9H,2-7H2,1H3,(H,14,17)(H2,15,16,18,19)/t9-/m1/s1
InChIKeyLCHWMZFDQZBUDX-SECBINFHSA-N
XLogP-0.40
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 34750208) is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@H]1CCCO1.
What is the InChIKey of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is LCHWMZFDQZBUDX-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-10(12(18)16-13(19)15-8)4-5-11(17)14-7-9-3-2-6-20-9/h9H,2-7H2,1H3,(H,14,17)(H2,15,16,18,19)/t9-/m1/s1.
What are the key properties of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 281.31 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 34750208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).