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

C9H14N2O4 — CID 23615506

IUPAC6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(C(O)(O)C(C)C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O4/c1-4(2)9(14,15)6-5(3)7(12)11-8(13)10-6/h4,14-15H,1-3H3,(H2,10,11,12,13)
InChIKeyKGLBTLPRWQZTIZ-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.83
Rot. Bonds2

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

6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 23615506) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID23615506
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(C(O)(O)C(C)C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O4/c1-4(2)9(14,15)6-5(3)7(12)11-8(13)10-6/h4,14-15H,1-3H3,(H2,10,11,12,13)
InChIKeyKGLBTLPRWQZTIZ-UHFFFAOYSA-N
XLogP-0.83
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(1,3-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 90918201
6-(2-hydroxy-3-methylbutan-2-yl)-1H-pyrimidine-2,4-dione
CID 133631160
6-(1-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 23615508
6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 150802658
6-(1,3-dihydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 10330397
5-tert-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 84678931

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione (CID 23615506) is 6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(C(O)(O)C(C)C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is KGLBTLPRWQZTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-4(2)9(14,15)6-5(3)7(12)11-8(13)10-6/h4,14-15H,1-3H3,(H2,10,11,12,13).
What are the key properties of 6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione?
6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 214.22 g/mol, XLogP of -0.83, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23615506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).