methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate

C10H12N2O6 — CID 171864430

IUPACmethyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(C(O)C(O)C(=O)OC)cn1
InChIInChI=1S/C10H12N2O6/c1-17-9(15)7(14)6(13)5-3-11-8(12-4-5)10(16)18-2/h3-4,6-7,13-14H,1-2H3
InChIKeyLTVXQSGFAJOVMK-UHFFFAOYSA-N
MW256.21 g/mol
LogP-1.17
Rot. Bonds4

About methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate

methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate (PubChem CID 171864430) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate
PubChem CID171864430
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Namemethyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(C(O)C(O)C(=O)OC)cn1
InChIInChI=1S/C10H12N2O6/c1-17-9(15)7(14)6(13)5-3-11-8(12-4-5)10(16)18-2/h3-4,6-7,13-14H,1-2H3
InChIKeyLTVXQSGFAJOVMK-UHFFFAOYSA-N
XLogP-1.17
TPSA118.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate
CID 171858316
methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 171863841
methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 171864522
ethane;methyl 5-hydroxypyrimidine-2-carboxylate
CID 145316773
methyl 3-(2,6-difluoro-4-pyridinyl)-2,3-dihydroxypropanoate
CID 171865158
methyl 5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrimidine-2-carboxylate
CID 170832490
methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
CID 171866731
methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
CID 171868795
methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 15056442
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
methyl 3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171864351
methyl 3-(5-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863534

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate (CID 171864430) is methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate is COC(=O)c1ncc(C(O)C(O)C(=O)OC)cn1.
What is the InChIKey of methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate?
The InChIKey is LTVXQSGFAJOVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6/c1-17-9(15)7(14)6(13)5-3-11-8(12-4-5)10(16)18-2/h3-4,6-7,13-14H,1-2H3.
What are the key properties of methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate?
methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate has a molecular weight of 256.21 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate is sourced from PubChem (CID 171864430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).