6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione

C8H13N3O4 — CID 45093400

IUPAC6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(NCC(O)CO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O4/c1-4-6(9-2-5(13)3-12)10-8(15)11-7(4)14/h5,12-13H,2-3H2,1H3,(H3,9,10,11,14,15)
InChIKeyVQLAUWUXGXYPKO-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.86
Rot. Bonds4

About 6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione

6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 45093400) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID45093400
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(NCC(O)CO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O4/c1-4-6(9-2-5(13)3-12)10-8(15)11-7(4)14/h5,12-13H,2-3H2,1H3,(H3,9,10,11,14,15)
InChIKeyVQLAUWUXGXYPKO-UHFFFAOYSA-N
XLogP-1.86
TPSA118.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione (CID 45093400) is 6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(NCC(O)CO)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is VQLAUWUXGXYPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-4-6(9-2-5(13)3-12)10-8(15)11-7(4)14/h5,12-13H,2-3H2,1H3,(H3,9,10,11,14,15).
What are the key properties of 6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione?
6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 215.21 g/mol, XLogP of -1.86, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 45093400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).