3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide

C17H15ClN6O2 — CID 127047763

IUPAC3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide
SMILESCCc1cnc(Oc2ccc(NC(=O)c3nccnc3N)cc2Cl)nc1
InChIInChI=1S/C17H15ClN6O2/c1-2-10-8-22-17(23-9-10)26-13-4-3-11(7-12(13)18)24-16(25)14-15(19)21-6-5-20-14/h3-9H,2H2,1H3,(H2,19,21)(H,24,25)
InChIKeyCRWVFWHKXFJMOJ-UHFFFAOYSA-N
MW370.80 g/mol
LogP3.11
Rot. Bonds5

About 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide

3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide (PubChem CID 127047763) has the molecular formula C17H15ClN6O2 and a molecular weight of 370.80 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide
PubChem CID127047763
Molecular FormulaC17H15ClN6O2
Molecular Weight370.80 g/mol
Exact Mass370.09
IUPAC Name3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide
SMILESCCc1cnc(Oc2ccc(NC(=O)c3nccnc3N)cc2Cl)nc1
InChIInChI=1S/C17H15ClN6O2/c1-2-10-8-22-17(23-9-10)26-13-4-3-11(7-12(13)18)24-16(25)14-15(19)21-6-5-20-14/h3-9H,2H2,1H3,(H2,19,21)(H,24,25)
InChIKeyCRWVFWHKXFJMOJ-UHFFFAOYSA-N
XLogP3.11
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide (CID 127047763) is 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide is CCc1cnc(Oc2ccc(NC(=O)c3nccnc3N)cc2Cl)nc1.
What is the InChIKey of 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide?
The InChIKey is CRWVFWHKXFJMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O2/c1-2-10-8-22-17(23-9-10)26-13-4-3-11(7-12(13)18)24-16(25)14-15(19)21-6-5-20-14/h3-9H,2H2,1H3,(H2,19,21)(H,24,25).
What are the key properties of 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide?
3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide has a molecular weight of 370.80 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 127047763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).