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

C14H23ClN4O2 — CID 165368629

IUPAC6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;triethylazanium
SMILESCC[NH+](CC)CC.Nc1nc(C2CC2)nc(C(=O)[O-])c1Cl
InChIInChI=1S/C8H8ClN3O2.C6H15N/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10;1-4-7(5-2)6-3/h3H,1-2H2,(H,13,14)(H2,10,11,12);4-6H2,1-3H3
InChIKeyOPXYSCVSOMBXJI-UHFFFAOYSA-N
MW314.82 g/mol
LogP-0.12
Rot. Bonds5

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

6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;triethylazanium (PubChem CID 165368629) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;triethylazanium.

Molecular Properties

Compound Name6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;triethylazanium
PubChem CID165368629
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;triethylazanium
SMILESCC[NH+](CC)CC.Nc1nc(C2CC2)nc(C(=O)[O-])c1Cl
InChIInChI=1S/C8H8ClN3O2.C6H15N/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10;1-4-7(5-2)6-3/h3H,1-2H2,(H,13,14)(H2,10,11,12);4-6H2,1-3H3
InChIKeyOPXYSCVSOMBXJI-UHFFFAOYSA-N
XLogP-0.12
TPSA96.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
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;triethylazanium?
The IUPAC name of 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;triethylazanium (CID 165368629) is 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;triethylazanium.
What is the SMILES notation for 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;triethylazanium?
The canonical SMILES for 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;triethylazanium is CC[NH+](CC)CC.Nc1nc(C2CC2)nc(C(=O)[O-])c1Cl.
What is the InChIKey of 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;triethylazanium?
The InChIKey is OPXYSCVSOMBXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2.C6H15N/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10;1-4-7(5-2)6-3/h3H,1-2H2,(H,13,14)(H2,10,11,12);4-6H2,1-3H3.
What are the key properties of 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;triethylazanium?
6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;triethylazanium has a molecular weight of 314.82 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 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;triethylazanium is sourced from PubChem (CID 165368629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).