1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione

C8H12N2O4 — CID 12803290

IUPAC1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C[C@H](O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O4/c1-5-2-10(3-6(12)4-11)8(14)9-7(5)13/h2,6,11-12H,3-4H2,1H3,(H,9,13,14)/t6-/m0/s1
InChIKeyICMFGTQEVBJAIG-LURJTMIESA-N
MW200.19 g/mol
LogP-1.80
Rot. Bonds3

About 1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione

1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione (PubChem CID 12803290) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione
PubChem CID12803290
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C[C@H](O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O4/c1-5-2-10(3-6(12)4-11)8(14)9-7(5)13/h2,6,11-12H,3-4H2,1H3,(H,9,13,14)/t6-/m0/s1
InChIKeyICMFGTQEVBJAIG-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 1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione (CID 12803290) is 1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione is Cc1cn(C[C@H](O)CO)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is ICMFGTQEVBJAIG-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O4/c1-5-2-10(3-6(12)4-11)8(14)9-7(5)13/h2,6,11-12H,3-4H2,1H3,(H,9,13,14)/t6-/m0/s1.
What are the key properties of 1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione?
1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-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 1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 12803290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).