methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate

C13H16N2O2 — CID 122239307

IUPACmethyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C2CCC2)nc(C2CC2)n1
InChIInChI=1S/C13H16N2O2/c1-17-13(16)11-7-10(8-3-2-4-8)14-12(15-11)9-5-6-9/h7-9H,2-6H2,1H3
InChIKeyRHLHQBNDVWYIPJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.41
Rot. Bonds3

About methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate

methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate (PubChem CID 122239307) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate
PubChem CID122239307
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namemethyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C2CCC2)nc(C2CC2)n1
InChIInChI=1S/C13H16N2O2/c1-17-13(16)11-7-10(8-3-2-4-8)14-12(15-11)9-5-6-9/h7-9H,2-6H2,1H3
InChIKeyRHLHQBNDVWYIPJ-UHFFFAOYSA-N
XLogP2.41
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate?
The IUPAC name of methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate (CID 122239307) is methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate is COC(=O)c1cc(C2CCC2)nc(C2CC2)n1.
What is the InChIKey of methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate?
The InChIKey is RHLHQBNDVWYIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-17-13(16)11-7-10(8-3-2-4-8)14-12(15-11)9-5-6-9/h7-9H,2-6H2,1H3.
What are the key properties of methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate?
methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate is sourced from PubChem (CID 122239307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).