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

C9H14N2O4 — CID 90918201

IUPAC6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(C(O)C(C)CO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O4/c1-4(3-12)7(13)6-5(2)8(14)11-9(15)10-6/h4,7,12-13H,3H2,1-2H3,(H2,10,11,14,15)
InChIKeyZDTJJDHCJILXJK-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.97
Rot. Bonds3

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

6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 90918201) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID90918201
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(C(O)C(C)CO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O4/c1-4(3-12)7(13)6-5(2)8(14)11-9(15)10-6/h4,7,12-13H,3H2,1-2H3,(H2,10,11,14,15)
InChIKeyZDTJJDHCJILXJK-UHFFFAOYSA-N
XLogP-0.97
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione (CID 90918201) is 6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(C(O)C(C)CO)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is ZDTJJDHCJILXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-4(3-12)7(13)6-5(2)8(14)11-9(15)10-6/h4,7,12-13H,3H2,1-2H3,(H2,10,11,14,15).
What are the key properties of 6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione?
6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 214.22 g/mol, XLogP of -0.97, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90918201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).