methyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate

C11H12N2O3 — CID 178165312

IUPACmethyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C(=O)C2CC2)nc1C
InChIInChI=1S/C11H12N2O3/c1-6-8(11(15)16-2)5-12-10(13-6)9(14)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyJBRRMSAXGOGWEZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.16
Rot. Bonds3

About methyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate

methyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate (PubChem CID 178165312) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate
PubChem CID178165312
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C(=O)C2CC2)nc1C
InChIInChI=1S/C11H12N2O3/c1-6-8(11(15)16-2)5-12-10(13-6)9(14)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyJBRRMSAXGOGWEZ-UHFFFAOYSA-N
XLogP1.16
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate (CID 178165312) is methyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate is COC(=O)c1cnc(C(=O)C2CC2)nc1C.
What is the InChIKey of methyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate?
The InChIKey is JBRRMSAXGOGWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6-8(11(15)16-2)5-12-10(13-6)9(14)7-3-4-7/h5,7H,3-4H2,1-2H3.
What are the key properties of methyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate?
methyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropanecarbonyl)-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 178165312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).