methyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate

C9H9ClN2O2 — CID 71117605

IUPACmethyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)ncc1Cl
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)7-6(10)4-11-8(12-7)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyGFVYDJYJZMMZQS-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.79
Rot. Bonds2

About methyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate

methyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate (PubChem CID 71117605) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is methyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate
PubChem CID71117605
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Namemethyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)ncc1Cl
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)7-6(10)4-11-8(12-7)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyGFVYDJYJZMMZQS-UHFFFAOYSA-N
XLogP1.79
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
The IUPAC name of methyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate (CID 71117605) is methyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate is COC(=O)c1nc(C2CC2)ncc1Cl.
What is the InChIKey of methyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
The InChIKey is GFVYDJYJZMMZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-14-9(13)7-6(10)4-11-8(12-7)5-2-3-5/h4-5H,2-3H2,1H3.
What are the key properties of methyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
methyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate has a molecular weight of 212.64 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-cyclopropylpyrimidine-4-carboxylate is sourced from PubChem (CID 71117605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).