methyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate

C10H14N2O4 — CID 135445949

IUPACmethyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCCCCc1nc(C(=O)OC)c(O)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c1-3-4-5-6-11-7(10(15)16-2)8(13)9(14)12-6/h13H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyYUGUQOABIJCTFE-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.60
Rot. Bonds4

About methyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate

methyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 135445949) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID135445949
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCCCCc1nc(C(=O)OC)c(O)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c1-3-4-5-6-11-7(10(15)16-2)8(13)9(14)12-6/h13H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyYUGUQOABIJCTFE-UHFFFAOYSA-N
XLogP0.60
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate (CID 135445949) is methyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate is CCCCc1nc(C(=O)OC)c(O)c(=O)[nH]1.
What is the InChIKey of methyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is YUGUQOABIJCTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-4-5-6-11-7(10(15)16-2)8(13)9(14)12-6/h13H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of methyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate?
methyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 135445949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).