2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride

C7H11ClFN3O2 — CID 70926454

IUPAC2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride
SMILESCCNC1=CC=NC(Cl)(C(=O)O)N1.F
InChIInChI=1S/C7H10ClN3O2.FH/c1-2-9-5-3-4-10-7(8,11-5)6(12)13;/h3-4,9,11H,2H2,1H3,(H,12,13);1H
InChIKeyHKVPQRCWRDCYPF-UHFFFAOYSA-N
MW223.63 g/mol
LogP0.24
Rot. Bonds3

About 2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride

2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride (PubChem CID 70926454) has the molecular formula C7H11ClFN3O2 and a molecular weight of 223.63 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride
PubChem CID70926454
Molecular FormulaC7H11ClFN3O2
Molecular Weight223.63 g/mol
Exact Mass223.05
IUPAC Name2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride
SMILESCCNC1=CC=NC(Cl)(C(=O)O)N1.F
InChIInChI=1S/C7H10ClN3O2.FH/c1-2-9-5-3-4-10-7(8,11-5)6(12)13;/h3-4,9,11H,2H2,1H3,(H,12,13);1H
InChIKeyHKVPQRCWRDCYPF-UHFFFAOYSA-N
XLogP0.24
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride?
The IUPAC name of 2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride (CID 70926454) is 2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride.
What is the SMILES notation for 2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride?
The canonical SMILES for 2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride is CCNC1=CC=NC(Cl)(C(=O)O)N1.F.
What is the InChIKey of 2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride?
The InChIKey is HKVPQRCWRDCYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2.FH/c1-2-9-5-3-4-10-7(8,11-5)6(12)13;/h3-4,9,11H,2H2,1H3,(H,12,13);1H.
What are the key properties of 2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride?
2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride has a molecular weight of 223.63 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-1H-pyrimidine-2-carboxylic acid;hydrofluoride is sourced from PubChem (CID 70926454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).