ethane;methyl 5-hydroxypyrimidine-2-carboxylate

C10H18N2O3 — CID 145316773

IUPACethane;methyl 5-hydroxypyrimidine-2-carboxylate
SMILESCC.CC.COC(=O)c1ncc(O)cn1
InChIInChI=1S/C6H6N2O3.2C2H6/c1-11-6(10)5-7-2-4(9)3-8-5;2*1-2/h2-3,9H,1H3;2*1-2H3
InChIKeyNSBVFPHGYOSKMI-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.02
Rot. Bonds1

About ethane;methyl 5-hydroxypyrimidine-2-carboxylate

ethane;methyl 5-hydroxypyrimidine-2-carboxylate (PubChem CID 145316773) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethane;methyl 5-hydroxypyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 5-hydroxypyrimidine-2-carboxylate
PubChem CID145316773
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethane;methyl 5-hydroxypyrimidine-2-carboxylate
SMILESCC.CC.COC(=O)c1ncc(O)cn1
InChIInChI=1S/C6H6N2O3.2C2H6/c1-11-6(10)5-7-2-4(9)3-8-5;2*1-2/h2-3,9H,1H3;2*1-2H3
InChIKeyNSBVFPHGYOSKMI-UHFFFAOYSA-N
XLogP2.02
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;methyl 5-hydroxypyrimidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[4-(2-methoxycarbonylpyrimidin-5-yl)cyclohexyl]pyrimidine-2-carboxylate
CID 170080455
methyl 5-propylpyrimidine-2-carboxylate
CID 162961445
methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate
CID 171864430
methyl 5-(3-methylphenyl)pyrimidine-2-carboxylate
CID 142526825
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate
CID 171858316
methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate
CID 59854199
chloro 5-methylpyrimidine-2-carboxylate
CID 176556664
methyl 5-(2-pyridin-3-ylethyl)pyrimidine-2-carboxylate
CID 162753381
methyl 1H-pyrazolo[4,3-d]pyrimidine-5-carboxylate
CID 154851752
methyl 2-tert-butylpyrimidine-5-carboxylate
CID 11446870
methyl 1-fluoro-1,2,4-triazole-3-carboxylate
CID 143899589
methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate
CID 131095817

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 5-hydroxypyrimidine-2-carboxylate?
The IUPAC name of ethane;methyl 5-hydroxypyrimidine-2-carboxylate (CID 145316773) is ethane;methyl 5-hydroxypyrimidine-2-carboxylate.
What is the SMILES notation for ethane;methyl 5-hydroxypyrimidine-2-carboxylate?
The canonical SMILES for ethane;methyl 5-hydroxypyrimidine-2-carboxylate is CC.CC.COC(=O)c1ncc(O)cn1.
What is the InChIKey of ethane;methyl 5-hydroxypyrimidine-2-carboxylate?
The InChIKey is NSBVFPHGYOSKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3.2C2H6/c1-11-6(10)5-7-2-4(9)3-8-5;2*1-2/h2-3,9H,1H3;2*1-2H3.
What are the key properties of ethane;methyl 5-hydroxypyrimidine-2-carboxylate?
ethane;methyl 5-hydroxypyrimidine-2-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 5-hydroxypyrimidine-2-carboxylate is sourced from PubChem (CID 145316773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).