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

C11H13ClN2O2 — CID 88889015

IUPACethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C11H13ClN2O2/c1-3-16-11(15)8-6(2)9(12)14-10(13-8)7-4-5-7/h7H,3-5H2,1-2H3
InChIKeyPMKDTZMBIFHHAQ-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.49
Rot. Bonds3

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

ethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate (PubChem CID 88889015) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is ethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
PubChem CID88889015
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Nameethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C11H13ClN2O2/c1-3-16-11(15)8-6(2)9(12)14-10(13-8)7-4-5-7/h7H,3-5H2,1-2H3
InChIKeyPMKDTZMBIFHHAQ-UHFFFAOYSA-N
XLogP2.49
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate?
The IUPAC name of ethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate (CID 88889015) is ethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate?
The canonical SMILES for ethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate is CCOC(=O)c1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of ethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate?
The InChIKey is PMKDTZMBIFHHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-3-16-11(15)8-6(2)9(12)14-10(13-8)7-4-5-7/h7H,3-5H2,1-2H3.
What are the key properties of ethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate?
ethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate has a molecular weight of 240.69 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 88889015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).