3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione

C8H12N2O4 — CID 12803292

IUPAC3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c[nH]c(=O)n(C[C@H](O)CO)c1=O
InChIInChI=1S/C8H12N2O4/c1-5-2-9-8(14)10(7(5)13)3-6(12)4-11/h2,6,11-12H,3-4H2,1H3,(H,9,14)/t6-/m0/s1
InChIKeyYMCVFPUGCSDNCZ-LURJTMIESA-N
MW200.19 g/mol
LogP-1.80
Rot. Bonds3

About 3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione

3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 12803292) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID12803292
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c[nH]c(=O)n(C[C@H](O)CO)c1=O
InChIInChI=1S/C8H12N2O4/c1-5-2-9-8(14)10(7(5)13)3-6(12)4-11/h2,6,11-12H,3-4H2,1H3,(H,9,14)/t6-/m0/s1
InChIKeyYMCVFPUGCSDNCZ-LURJTMIESA-N
XLogP-1.80
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione (CID 12803292) is 3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione is Cc1c[nH]c(=O)n(C[C@H](O)CO)c1=O.
What is the InChIKey of 3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is YMCVFPUGCSDNCZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O4/c1-5-2-9-8(14)10(7(5)13)3-6(12)4-11/h2,6,11-12H,3-4H2,1H3,(H,9,14)/t6-/m0/s1.
What are the key properties of 3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione?
3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 200.19 g/mol, XLogP of -1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2,3-dihydroxypropyl]-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 12803292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).