methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate

C10H11ClN2O2 — CID 84690746

IUPACmethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C10H11ClN2O2/c1-5-7(10(14)15-2)12-9(6-3-4-6)13-8(5)11/h6H,3-4H2,1-2H3
InChIKeyLVYYKMXCZHFKAA-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.10
Rot. Bonds2

About methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate

methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate (PubChem CID 84690746) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
PubChem CID84690746
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Namemethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C10H11ClN2O2/c1-5-7(10(14)15-2)12-9(6-3-4-6)13-8(5)11/h6H,3-4H2,1-2H3
InChIKeyLVYYKMXCZHFKAA-UHFFFAOYSA-N
XLogP2.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate (CID 84690746) is methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate is COC(=O)c1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate?
The InChIKey is LVYYKMXCZHFKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-5-7(10(14)15-2)12-9(6-3-4-6)13-8(5)11/h6H,3-4H2,1-2H3.
What are the key properties of methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate?
methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate has a molecular weight of 226.66 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 84690746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).