(6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium

C8H8N2O2Yb — CID 59460701

IUPAC(6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium
SMILESCOC(=O)c1ncnc(C=[Yb])c1C
InChIInChI=1S/C8H8N2O2.Yb/c1-5-6(2)9-4-10-7(5)8(11)12-3;/h2,4H,1,3H3;
InChIKeyFAHBPDKTVUSQHC-UHFFFAOYSA-N
MW337.20 g/mol
LogP0.27
Rot. Bonds2

About (6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium

(6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium (PubChem CID 59460701) has the molecular formula C8H8N2O2Yb and a molecular weight of 337.20 g/mol. Its IUPAC name is (6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium.

Molecular Properties

Compound Name(6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium
PubChem CID59460701
Molecular FormulaC8H8N2O2Yb
Molecular Weight337.20 g/mol
Exact Mass338.00
IUPAC Name(6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium
SMILESCOC(=O)c1ncnc(C=[Yb])c1C
InChIInChI=1S/C8H8N2O2.Yb/c1-5-6(2)9-4-10-7(5)8(11)12-3;/h2,4H,1,3H3;
InChIKeyFAHBPDKTVUSQHC-UHFFFAOYSA-N
XLogP0.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-amino-5-chloropyrimidine-4-carboxylate
CID 118996637
ethane;methyl 2,5-dimethylpyrimidine-4-carboxylate
CID 145450244
methyl 6-amino-5-[(E)-3-methoxy-3-oxoprop-1-enyl]pyrimidine-4-carboxylate
CID 59421498
methyl 8-bromo-7-chloro-4-methylisoquinoline-3-carboxylate
CID 177154163
methyl 5-methyl-1H-imidazole-4-carboxylate
CID 587740
methyl 6-hydroxyquinazoline-4-carboxylate
CID 105455928
methyl 5-methyl-2-methylsulfanylpyrimidine-4-carboxylate
CID 22386205
methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate
CID 67975081
2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate
CID 165095154
methyl 5-chloro-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate
CID 73425278
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861

Frequently Asked Questions

What is the IUPAC name of (6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium?
The IUPAC name of (6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium (CID 59460701) is (6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium.
What is the SMILES notation for (6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium?
The canonical SMILES for (6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium is COC(=O)c1ncnc(C=[Yb])c1C.
What is the InChIKey of (6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium?
The InChIKey is FAHBPDKTVUSQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.Yb/c1-5-6(2)9-4-10-7(5)8(11)12-3;/h2,4H,1,3H3;.
What are the key properties of (6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium?
(6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium has a molecular weight of 337.20 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium is sourced from PubChem (CID 59460701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).