6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate

C8H7ClN3O2- — CID 53477591

IUPAC6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
SMILESNc1nc(C2CC2)nc(C(=O)[O-])c1Cl
InChIInChI=1S/C8H8ClN3O2/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10/h3H,1-2H2,(H,13,14)(H2,10,11,12)/p-1
InChIKeyKWAIHLIXESXTJL-UHFFFAOYSA-M
MW212.62 g/mol
LogP-0.05
Rot. Bonds2

About 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate

6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate (PubChem CID 53477591) has the molecular formula C8H7ClN3O2- and a molecular weight of 212.62 g/mol. Its IUPAC name is 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate.

Molecular Properties

Compound Name6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
PubChem CID53477591
Molecular FormulaC8H7ClN3O2-
Molecular Weight212.62 g/mol
Exact Mass212.02
IUPAC Name6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
SMILESNc1nc(C2CC2)nc(C(=O)[O-])c1Cl
InChIInChI=1S/C8H8ClN3O2/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10/h3H,1-2H2,(H,13,14)(H2,10,11,12)/p-1
InChIKeyKWAIHLIXESXTJL-UHFFFAOYSA-M
XLogP-0.05
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
The IUPAC name of 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate (CID 53477591) is 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate.
What is the SMILES notation for 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
The canonical SMILES for 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate is Nc1nc(C2CC2)nc(C(=O)[O-])c1Cl.
What is the InChIKey of 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
The InChIKey is KWAIHLIXESXTJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8ClN3O2/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10/h3H,1-2H2,(H,13,14)(H2,10,11,12)/p-1.
What are the key properties of 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate?
6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate has a molecular weight of 212.62 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate is sourced from PubChem (CID 53477591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).